SCHEMBL6166072

SCHEMBL6166072

O=C(c1cc(-c2ccc(F)cc2)nc2ccc(F)cc12)N1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.60
CYP2C9 P11712 2/20 0.59
RAB9A P51151 2/20 0.58
POLB P06746 2/20 0.58
TDP1 Q9NUW8 1/20 0.57
MOK Q9UQ07 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
NPC1 O15118 1/20 0.55
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
PLA2G2A P14555 1/20 0.53

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
SCHEMBL6163182 0.94 DHODH (0.65) DHODHCYP2C9RAB9APOLBTDP1
SCHEMBL6163443 0.91 POLB (0.53) DHODHCYP2C9RAB9APOLBTDP1
SCHEMBL6163364 0.89 CYP2C9 (0.74) CYP2C9RAB9APOLBTDP1MOK
SCHEMBL6164132 0.86 CYP2C9 (0.53) DHODHCYP2C9RAB9APOLBTDP1
SCHEMBL9788828 0.81 DHODH (0.86) DHODHCYP2C9RAB9AALDH1A1GAA
SCHEMBL6162262 0.80 DHODH (0.51) DHODHALDH1A1GAAKMT2AKDM4E
SCHEMBL6164238 0.80 DHODH (0.51) DHODHALDH1A1GAAKMT2AKDM4E
SCHEMBL6162326 0.80 DHODH (0.51) DHODHALDH1A1GAAKMT2AKDM4E
SCHEMBL26073753 0.80 DHODH (0.89) DHODHCYP2C9RAB9AALDH1A1GAA
SCHEMBL6167121 0.80 TRPV1 (0.57) CYP2C9RAB9APOLBTDP1MOK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337523-B1 2,4-SUBSTITUTED PYRIDINE DERIVATIVES NEUROGEN CORP (US) 2005-10-19 EP claimed
US-20040048867-A1 2,4-Substituted pyridine derivatives NEUROGEN CORPORATION 2004-03-11 US claimed
EP-1337523-A2 2,4-SUBSTITUTED PYRIDINE DERIVATIVES NEUROGEN CORPORATION (US) 2003-08-27 EP claimed
US-20020161008-A1 2,4-Substituted pyridine derivatives NEUROGEN CORPORATION 2002-10-31 US claimed
WO-2002014269-A2 2,4-SUBSTITUTED PYRIDINE DERIVATIVES NEUROGEN CORPORATION (US) 2002-02-21 WO claimed
US-6559163-B2 Agonists, antagonists or inverse agonists for GABAA brain receptors; useful in diagnosis and treatment of anxiety, depression NEUROGEN CORPORATION 2003-05-06 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-20020161008-A1 2,4-Substituted pyridine derivatives GABARAP, GABRB1, GABARAPL1 DHODH 2235/4885CYP2C9 422/4885RAB9A 628/4885
US-20040048867-A1 2,4-Substituted pyridine derivatives GABARAP, GABRB1, GABARAPL1 DHODH 2235/4885CYP2C9 422/4885RAB9A 628/4885

“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.