Imetit

Imetit

SCHEMBL7974417

Br.Br.N=C(N)SCCc1c[nH]cn1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

The experimentally established mechanism targets of Imetit. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A known ✓ P08913 2/20 0.50
HRH4 Q9H3N8 5/20 0.50
NPSR1 Q6W5P4 3/20 0.50
HRH3 Q9Y5N1 3/20 0.50
BLM P54132 1/20 0.49
CYP2D6 P10635 3/20 0.47
CYP3A4 P08684 3/20 0.47
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
THPO P40225 1/20 0.47
KMT2A Q03164 1/20 0.47
NOS1 P29475 6/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HIF1A Q16665 1/20 0.46
LMNA P02545 3/20 0.45
IDO1 P14902 2/20 0.42
NOS3 P29474 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Imetit SCHEMBL31157603 1.00 HRH4 (0.50) HRH4NPSR1HRH3ADRA2ABLM
Imetit SCHEMBL2895693 0.98 HRH4 (0.49) HRH4NPSR1HRH3ADRA2ABLM
SCHEMBL27550976 0.89 HRH4 (0.51) HRH4NPSR1HRH3ADRA2ABLM
SCHEMBL31157604 0.78
Histamine SCHEMBL27489895 0.76 HRH4 (0.34) HRH4HRH3TDP1TSHRCYP2C19
Histamine SCHEMBL29399326 0.74
Histamine SCHEMBL4202201 0.74 HRH4 (0.41) HRH4HRH3TDP1LMNAAPEX1
SCHEMBL2893700 0.72 SPHK2 (0.31) LMNA
Histamine SCHEMBL28543874 0.72 HRH4 (0.39) HRH4HRH3TDP1LMNAAPEX1
Histamine SCHEMBL4234179 0.72 HRH4 (0.39) HRH4HRH3TDP1LMNAAPEX1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230035892-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER FLAGSHIP PIONEERING, INC. 2023-02-02 US disclosed
US-20220033490-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER USING CHRNA6 INHIBITORS FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2022-02-03 US disclosed
US-20210283217-A1 NEUROMODULATING COMPOSITIONS AND RELATED THERAPEUTIC METHODS FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-16 US disclosed
US-11059886-B1 Methods and compositions for treating inflammatory or autoimmune diseases or conditions using GRM8 activators FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-07-13 US disclosed
US-20210177823-A1 NEUROMODULATING COMPOSITIONS AND RELATED THERAPEUTIC METHODS FOR THE TREATMENT OF CANCER FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-06-17 US disclosed
US-11034751-B1 Methods and compositions for treating cancer using serotonin receptor inhibitors FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-06-15 US disclosed
US-20210154272-A1 NEUROMODULATING COMPOSITIONS AND RELATED THERAPEUTIC METHODS FOR THE TREATMENT OF CANCER BY MODULATING AN ANTI-CANCER IMMUNE RESPONSE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-05-27 US disclosed
US-11013717-B1 Methods and compositions for treating cancer using SERCA pump inhibitors FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-05-25 US disclosed
US-20200360364-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY OR AUTOIMMUNE DISEASES OR CONDITIONS USING CHRNA6 ACTIVATORS FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2020-11-19 US disclosed
US-10683352-B1 Methods for treating cancer using GRM8 inhibitors FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2020-06-16 US disclosed
US-20190240293-A1 NEUROMODULATING COMPOSITIONS AND RELATED THERAPEUTIC METHODS FOR THE TREATMENT OF CANCER BY MODULATING AN ANTI-CANCER IMMUNE RESPONSE CYGNAL THERAPEUTICS, INC. 2019-08-08 US disclosed
US-20190233527-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY OR AUTOIMMUNE DISEASES OR CONDITIONS USING CALCITONIN RECEPTOR ACTIVATORS FLAGSHIP PIONEERING, INC. 2019-08-01 US disclosed
EP-3506926-A1 NEUROMODULATING COMPOSITIONS AND RELATED THERAPEUTIC METHODS FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES Flagship Pioneering Innovations V, Inc. (US) 2019-07-10 EP disclosed
EP-3490581-A2 NEUROMODULATING COMPOSITIONS AND RELATED THERAPEUTIC METHODS FOR THE TREATMENT OF CANCER Flagship Pioneering Innovations V, Inc. (US) 2019-06-05 EP disclosed
EP-3490542-A1 NEUROMODULATING COMPOSITIONS AND RELATED THERAPEUTIC METHODS FOR THE TREATMENT OF CANCER BY MODULATING AN ANTI-CANCER IMMUNE RESPONSE Flagship Pioneering Innovations V, Inc. (US) 2019-06-05 EP disclosed
WO-2018022668-A2 NEUROMODULATING COMPOSITIONS AND RELATED THERAPEUTIC METHODS FOR THE TREATMENT OF CANCER FLAGSHIP PIONEERING, INC. (US) 2018-02-01 WO disclosed
WO-2018022666-A1 NEUROMODULATING COMPOSITIONS AND RELATED THERAPEUTIC METHODS FOR THE TREATMENT OF CANCER BY MODULATING AN ANTI-CANCER IMMUNE RESPONSE FLAGSHIP PIONEERING, INC. (US) 2018-02-01 WO disclosed
WO-2018022664-A1 NEUROMODULATING COMPOSITIONS AND RELATED THERAPEUTIC METHODS FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES FLAGSHIP PIONEERING, INC. (US) 2018-02-01 WO disclosed
US-RE37303-E1 Imidazole compounds and their therapeutic applications INSTITUT NATIONAL DEL LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2001-07-31 US disclosed
US-5559113-A ANTAGONISTS TO HISTAMINE H3 RECEPTORS, SEDATIVES, ANTICONVULSANTS, ANTIULCER AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE 1996-09-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220033490-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER USING CHRNA6 INHIBITORS CHRNA6, CHRNA1, CHRNB1 ADRA2A 45/4885HRH4 869/4885NPSR1 822/4885
US-20200360364-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY OR AUTOIMMUNE DISEASES OR CONDITIONS USING CHRNA6 ACTIVATORS CHRNA6, CHRNA1, CHRNG ADRA2A 58/4885HRH4 428/4885NPSR1 735/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.