SCHEMBL17025529

SCHEMBL17025529

N#CC(c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
VCAM1 P19320 2/20 0.44
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
IDO1 P14902 1/20 0.41
MAPT P10636 5/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.40

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
SCHEMBL9159594 0.91 ALDH1A1 (0.47) CYP1A2ALDH1A1L3MBTL1VCAM1MAPT
SCHEMBL17506990 0.85 ALDH1A1 (0.50) ALDH1A1L3MBTL1VCAM1MAPTTDP1
SCHEMBL701598 0.85 ALDH1A1 (0.50) CYP1A2CYP2C19ALDH1A1L3MBTL1VCAM1
SCHEMBL4839451 0.84 ALDH1A1 (0.52) CYP1A2CYP2C19ALDH1A1L3MBTL1MAPT
SCHEMBL8147067 0.84 MEN1 (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1L3MBTL1
SCHEMBL11766968 0.84 ALDH1A1 (0.47) CYP1A2CYP2C9CYP2C19ALDH1A1L3MBTL1
SCHEMBL4797034 0.84 VCAM1 (0.47) CYP2C9ALDH1A1L3MBTL1VCAM1MAPT
SCHEMBL11764336 0.81 VCAM1 (0.55) ALDH1A1L3MBTL1VCAM1MAPTTDP1
Water SCHEMBL28322379 0.81 CYP1A2 (0.64) CYP1A2CYP2C9CYP2C19ALDH1A1MAOB
SCHEMBL7825067 0.81 ALDH1A1 (0.60) CYP1A2CYP2C9CYP2C19ALDH1A1L3MBTL1

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
CN-107746390-B Preparation method of anticoccidial drug diclazuril 连云港市亚晖医药化工有限公司 2021-03-16 CN claimed
CN-107746390-B Preparation method of anticoccidial drug diclazuril 连云港市亚晖医药化工有限公司 2021-03-16 CN disclosed
US-9464055-B2 Quinoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2016-10-11 US disclosed
US-9266835-B2 Quinoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2016-02-23 US disclosed
WO-2015130445-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-09-03 WO disclosed
WO-2015130444-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-09-03 WO disclosed
US-20150239844-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-08-27 US disclosed
US-20150239845-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-08-27 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-20150239844-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, CNR2, GPR119 CYP1A2 361/4885CYP2C9 1441/4885CYP2C19 958/4885
US-20150239845-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, CNR2, GPR119 CYP1A2 361/4885CYP2C9 1441/4885CYP2C19 958/4885

“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.