SCHEMBL4134736

SCHEMBL4134736

O=C(O)[C@@H]1C[C@H]1c1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.56
HRH3 Q9Y5N1 1/20 0.54
FFAR1 O14842 5/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
HDAC4 P56524 2/20 0.49
GRK2 P25098 1/20 0.46
CASP6 P55212 1/20 0.46
CASP8 Q14790 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.44
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SLC9A1 P19634 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
SCHEMBL4134734 1.00 KDM1A (0.56) KDM1AHRH3FFAR1HTR2AHTR2C
SCHEMBL29302375 1.00 KDM1A (0.56) KDM1AHRH3FFAR1HTR2AHTR2C
SCHEMBL6902985 1.00 KDM1A (0.56) KDM1AHRH3FFAR1HTR2AHTR2C
SCHEMBL31330378 0.88 KDM1A (0.54) KDM1AHRH3FFAR1HTR2AHTR2C
SCHEMBL4134864 0.85 KDM1A (0.59) KDM1AHRH3HTR2AHTR2CHTR2B
SCHEMBL4134867 0.85 KDM1A (0.59) KDM1AHRH3HTR2AHTR2CHTR2B
SCHEMBL25606213 0.85 KDM1A (0.54) KDM1AHRH3HTR2AHTR2CHTR2B
SCHEMBL1817691 0.81 ROCK2 (0.49) KDM1AHRH3HTR2AHTR2CHTR2B
SCHEMBL4717135 0.81 SLC6A4 (0.57) KDM1AHRH3HTR2AHTR2CHTR2B
SCHEMBL1817686 0.81 ROCK2 (0.49) KDM1AHRH3HTR2AHTR2CHTR2B

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4396179-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION (US) 2024-07-10 EP disclosed
EP-3914256-B1 GPR35 MODULATORS PROMETHEUS BIOSCIENCES INC (US) 2024-05-29 EP disclosed
US-11970484-B2 LXR modulators with bicyclic core moiety ORSOBIO, INC. (US) 2024-04-30 US disclosed
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX PHARMACEUTICALS AKTIENGESELLSCHAFT (DE) 2023-11-09 US disclosed
US-11773101-B2 GPR35 modulators PROMETHEUS BIOSCIENCES, INC. (US) 2023-10-03 US disclosed
EP-3814331-B9 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY ORSOBIO INC (US) 2023-08-09 EP disclosed
EP-3814331-B1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY ORSOBIO INC (US) 2023-06-14 EP disclosed
US-11618747-B2 LXR modulators with bicyclic core moiety ORSOBIO, INC. (US) 2023-04-04 US disclosed
WO-2023034992-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION (US) 2023-03-09 WO disclosed
US-20210380590-A1 GPR35 MODULATORS PROMETHEUS BIOSCIENCES, INC. 2021-12-09 US disclosed
US-11053251-B2 GPR35 modulators PROMETHEUS BIOSCIENCES, INC. (US) 2021-07-06 US disclosed
US-20210147398-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX-FXR GMBH (DE) 2021-05-20 US disclosed
US-20200239476-A1 GPR35 MODULATORS PROMETHEUS BIOSCIENCES, INC. 2020-07-30 US disclosed
US-20090203750-A1 5-HT2C Receptor Agonists as Anorectic Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-13 US disclosed
WO-2007025144-A1 5-HT2C RECEPTOR AGONISTS AS ANORECTIC AGENTS UNIVERSITY OF ILLINOIS - CHICAGO (US) 2007-03-01 WO 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 (9 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-11618747-B2 LXR modulators with bicyclic core moiety NR1H2, NR1H3, NR1H4 KDM1A 2253/4885HRH3 1485/4885FFAR1 80/4885
US-20210380590-A1 GPR35 MODULATORS GPR35, GPR55, GPR65 KDM1A 4493/4885HRH3 454/4885FFAR1 29/4885
US-11053251-B2 GPR35 modulators GPR35, GPR55, GPR65 KDM1A 4493/4885HRH3 454/4885FFAR1 29/4885
US-11773101-B2 GPR35 modulators GPR35, GPR55, GPR65 KDM1A 4493/4885HRH3 454/4885FFAR1 29/4885
US-11970484-B2 LXR modulators with bicyclic core moiety NR1H2, NR1H3, NR1H4 KDM1A 2253/4885HRH3 1485/4885FFAR1 80/4885
US-20210147398-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 KDM1A 2432/4885HRH3 1559/4885FFAR1 63/4885
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 KDM1A 2432/4885HRH3 1559/4885FFAR1 63/4885
US-20090203750-A1 5-HT2C Receptor Agonists as Anorectic Agents HTR2C, HTR2A, HTR5A KDM1A 3105/4885HRH3 436/4885FFAR1 43/4885
US-20200239476-A1 GPR35 MODULATORS GPR35, GPR55, GPR65 KDM1A 4493/4885HRH3 454/4885FFAR1 29/4885

“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.