SCHEMBL6462345

SCHEMBL6462345

COc1cccc(OCC(=O)NC2CCC(Nc3cc(C)c4ccccc4n3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C19 P33261 2/20 0.59
KDM4E B2RXH2 3/20 0.52
LMNA P02545 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 3/20 0.48
RXFP1 Q9HBX9 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
TP53 P04637 2/20 0.46
USP2 O75604 2/20 0.46

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
SCHEMBL6462331 1.00 SMN1; SMN2 (0.59) SMN1; SMN2CYP1A2CYP3A4CYP2C19KDM4E
Hydrochloric Acid SCHEMBL6457231 0.99 SMN1; SMN2 (0.58) SMN1; SMN2CYP1A2CYP3A4CYP2C19KDM4E
Hydrochloric Acid SCHEMBL6457237 0.99 SMN1; SMN2 (0.58) SMN1; SMN2CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL6462845 0.92 MAPT (0.56) SMN1; SMN2CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL6462839 0.92 MAPT (0.56) SMN1; SMN2CYP1A2CYP3A4CYP2C19KDM4E
Hydrochloric Acid SCHEMBL6460911 0.91 MAPT (0.55) SMN1; SMN2CYP1A2CYP3A4CYP2C19KDM4E
Hydrochloric Acid SCHEMBL6460917 0.91 MAPT (0.55) SMN1; SMN2CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL6464706 0.90 MCHR1 (0.52) SMN1; SMN2KDM4ELMNAHPGDHTT
SCHEMBL6464711 0.90 MCHR1 (0.52) SMN1; SMN2KDM4ELMNAHPGDHTT
Hydrochloric Acid SCHEMBL6457341 0.89 MCHR1 (0.51) SMN1; SMN2KDM4ELMNAHPGDHTT

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
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US claimed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP claimed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP 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 (1 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 SMN1; SMN2 1477/4885CYP1A2 304/4885CYP3A4 284/4885

“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.