SCHEMBL3364009

SCHEMBL3364009

CCc1cccnc1NC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.52
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
HTT P42858 2/20 0.49
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
CYP1A2 P05177 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2C9 P11712 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 3/20 0.43
MAPK1 P28482 2/20 0.43
CYP3A4 P08684 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
SCHEMBL28018732 0.91 GRM5 (0.52) MMENPC1RAB9AHTTATM
SCHEMBL28018731 0.89 MME (0.47) MMENPC1RAB9AHTTATM
SCHEMBL13964874 0.87 MME (0.48) MMENPC1RAB9AHTTATM
SCHEMBL4344801 0.87 NPC1 (0.44) MMENPC1RAB9AHTTATM
SCHEMBL7932473 0.86 RAB9A (0.44) MMENPC1RAB9AHTTATM
SCHEMBL19306197 0.86 RAB9A (0.43) MMENPC1RAB9AHTTATM
SCHEMBL21155575 0.86 MME (0.47) MMENPC1RAB9AHTTATM
SCHEMBL23566407 0.85 HTT (0.63) MMENPC1RAB9AHTTATM
SCHEMBL27853507 0.84 MME (0.43) MMENPC1RAB9AHTTATM
SCHEMBL2558369 0.83 NPC1 (0.41) MMENPC1RAB9AHTTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT JANSSEN PHARMACEUTICA NV (BE) 2022-05-31 US disclosed
EP-3807251-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT Janssen Pharmaceutica NV (BE) 2021-04-21 EP disclosed
WO-2019244000-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
US-20170121331-A1 CGRP Receptor Antagonists NXERA PHARMA UK LIMITED (GB) 2017-05-04 US disclosed
CN-104710420-B Azabicyclic formula compound or its salt, containing its medicine, compositions and application 大鹏药品工业株式会社 2016-07-27 CN disclosed
CN-102471335-B Azanebicyclic compound or salt thereof TAIHO PHARMACEUTICAL CO.,LTD. (JP) 2015-09-30 CN disclosed
CN-104710420-A Azabicyclo compound and salt thereof, medication and composition containing same, and application thereof TAIHO PHARMACEUTICAL CO LTD 2015-06-17 CN disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 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 (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-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT RORC, RORB, RORA MME 4821/4885NPC1 3538/4885RAB9A 1475/4885
US-20170121331-A1 CGRP Receptor Antagonists CALCRL, CALCR, VIPR1 MME 1101/4885NPC1 629/4885RAB9A 1414/4885

“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.