SCHEMBL16616606

SCHEMBL16616606

O=C(C=Cc1cccnc1Nc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.53
LMNA P02545 7/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
PKM P14618 1/20 0.50
MAPT P10636 9/20 0.48
MAPK1 P28482 1/20 0.48
DHODH Q02127 2/20 0.47
SMN1; SMN2 Q16637 6/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
ATM Q13315 2/20 0.45
HPGD P15428 4/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 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
SCHEMBL16616605 1.00 GRM5 (0.53) GRM5LMNAALDH1A1KDM4EPKM
SCHEMBL16616154 0.95 GRM5 (0.50) GRM5LMNAALDH1A1KDM4EPKM
SCHEMBL16616157 0.95 GRM5 (0.50) GRM5LMNAALDH1A1KDM4EPKM
SCHEMBL16616506 0.91 MAOB (0.55) GRM5LMNAKDM4EMAPTDHODH
SCHEMBL16616505 0.91 MAOB (0.55) GRM5LMNAKDM4EMAPTDHODH
SCHEMBL16616658 0.87 ABCG2 (0.58) GRM5LMNAALDH1A1KDM4EPKM
SCHEMBL16616657 0.87 ABCG2 (0.58) GRM5LMNAALDH1A1KDM4EPKM
SCHEMBL16616847 0.87 SMN1; SMN2 (0.54) GRM5LMNAALDH1A1KDM4EPKM
SCHEMBL16616849 0.87 SMN1; SMN2 (0.54) GRM5LMNAALDH1A1KDM4EPKM
SCHEMBL16616450 0.85 ABCB1 (0.48) GRM5LMNAALDH1A1KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006451-B1 2-anilinonicotinyl based chalcones useful as potential anticancer agents and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-14 US disclosed
US-20150099888-A1 2-Anilinonicotinyl Based Chalcones Useful As Potential Anticancer Agents and Process for Preparation Thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-09 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 (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-20150099888-A1 2-Anilinonicotinyl Based Chalcones Useful As Potential Anticancer Agents and Process for Preparation Thereof HCCS, WEE2, WEE1 GRM5 4770/4885LMNA 1571/4885ALDH1A1 1497/4885

“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.