SCHEMBL3065302

SCHEMBL3065302

O=C(NCC(F)(F)F)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.60
BCL9 O00512 1/20 0.49
CTNNB1 P35222 1/20 0.49
FAAH O00519 2/20 0.48
TRPV1 Q8NER1 1/20 0.48
GAA P10253 3/20 0.48
KMT2A Q03164 3/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPT P10636 5/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MYOC Q99972 1/20 0.43

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
SCHEMBL24318 0.83 MGLL (0.70) MGLLBCL9CTNNB1FAAHTRPV1
SCHEMBL18703462 0.83 MGLL (0.78) MGLLBCL9CTNNB1FAAHTRPV1
SCHEMBL27838824 0.82 MGLL (0.60) MGLLBCL9CTNNB1FAAHTRPV1
SCHEMBL4882211 0.81 MGLL (0.59) MGLLBCL9CTNNB1FAAHTRPV1
SCHEMBL19412173 0.80 MGLL (0.84) MGLLBCL9CTNNB1FAAHTRPV1
SCHEMBL3398600 0.80 MGLL (0.65) MGLLBCL9CTNNB1FAAHTRPV1
4-Nitrophenyl Ethylcarbamate SCHEMBL1695035 0.80 MGLL (0.74) MGLLBCL9CTNNB1FAAHTRPV1
SCHEMBL23868544 0.80 MGLL (0.57) MGLLBCL9CTNNB1FAAHTRPV1
SCHEMBL11919307 0.79 MGLL (0.64) MGLLBCL9CTNNB1FAAHTRPV1
SCHEMBL22207143 0.79 MGLL (0.60) MGLLBCL9CTNNB1FAAHTRPV1

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
US-12516056-B2 Compounds for inhibition of janus kinase 1 MANKIND PHARMA LTD. (IN) 2026-01-06 US disclosed
US-11771086-B2 Pest control composition including novel iminopyridine derivative MMAG CO., LTD. (JP) 2023-10-03 US disclosed
US-20220235046-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2022-07-28 US disclosed
EP-3976612-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD (IN) 2022-04-06 EP disclosed
CN-114174294-A Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2022-03-11 CN disclosed
WO-2020240586-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2020-12-03 WO disclosed
US-8476297-B2 TRP-M8 receptor ligands and their use in treatments AMGEN INC. (US) 2013-07-02 US disclosed
US-8476297-B2 TRP-M8 receptor ligands and their use in treatments AMGEN INC. (US) 2013-07-02 US disclosed
US-8476297-B2 TRP-M8 receptor ligands and their use in treatments AMGEN INC. (US) 2013-07-02 US disclosed
US-20100261728-A1 TRP-M8 RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2010-10-14 US disclosed
US-20100261728-A1 TRP-M8 RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2010-10-14 US disclosed
US-20100261728-A1 TRP-M8 RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2010-10-14 US disclosed
US-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
WO-2009073203-A1 TRP-M8 RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2009-06-11 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 (3 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-11771086-B2 Pest control composition including novel iminopyridine derivative API5, DDT, INTS9 MGLL 1799/4885BCL9 644/4885CTNNB1 4094/4885
US-20100261728-A1 TRP-M8 RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPM8, TRPV2 MGLL 995/4885BCL9 2041/4885CTNNB1 1880/4885
US-20220235046-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 JAK1, JAK2, JAK3 MGLL 4204/4885BCL9 1029/4885CTNNB1 3327/4885

“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.