SCHEMBL6637548

SCHEMBL6637548

Cc1ccccc1-c1ccncc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TACR1 P25103 1/20 0.50
GPBAR1 Q8TDU6 11/20 0.49
KDM5A P29375 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
KDM5B Q9UGL1 1/20 0.49
MYC P01106 1/20 0.49
DHODH Q02127 1/20 0.47
MCL1 Q07820 1/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
TYK2 P29597 1/20 0.44

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
SCHEMBL6870086 0.87 MYC (0.53) TDP1TACR1GPBAR1KDM5AKDM4C
SCHEMBL27967304 0.87 MYC (0.53) SIRT3TDP1GPBAR1KDM5AKDM4C
SCHEMBL6825048 0.85 SIRT3 (0.67) SIRT3TDP1TACR1GPBAR1
Hydrochloric Acid SCHEMBL14861781 0.85 MYC (0.51) SIRT3TDP1GPBAR1KDM5AKDM4C
SCHEMBL30863845 0.84 KDM4C (0.57) SIRT3TDP1KDM5AKDM4CKDM5B
SCHEMBL10079078 0.83 DHODH (0.53) SIRT3TDP1KDM5AKDM4CKDM5B
SCHEMBL6641437 0.83 ALDH1A1 (0.50) SIRT3TDP1TACR1GPBAR1TYK2
SCHEMBL6882249 0.83 MAPK1 (0.48) SIRT3TDP1TACR1GPBAR1TYK2
SCHEMBL30444902 0.80 NPC1 (0.47) TDP1GPBAR1KDM4CDHODHCSNK2A2
SCHEMBL10874614 0.80 ALDH1A1 (0.48) TDP1GPBAR1KDM4CDHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1394150-A1 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2004-03-03 EP disclosed
US-6479483-B2 3,4,6-SUBSTITUTED PYRIDINE DERIVATIVES USEFUL FOR TREATING DEPRESSION AND PAIN, RESULTING FROM INFLAMMATORY CONDITIONS, SUCH AS MIGRAINE, RHEUMATOID ARTHRITIS, ASTHMA AND INFLAMATORY BOWEL DISEASE; NK1 RECEPTOR ANTAGONIST HOFFMANN-LA ROCHE INC. 2002-11-12 US disclosed
US-20020091265-A1 4-phenyl-pyridine derivatives BOS MICHAEL (CA) 2002-07-11 US disclosed
US-6297375-B1 4-phenyl-pyridine derivatives HOFFMANN-LA ROCHE INC. 2001-10-02 US disclosed
EP-1035115-A1 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2000-09-13 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-20020091265-A1 4-phenyl-pyridine derivatives CBR1, CBR3, HCCS SIRT3 1022/4885TDP1 4182/4885TACR1 534/4885

“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.