SCHEMBL4944778

SCHEMBL4944778

Nc1cc2ccccc2nc1Cl.Nc1cnc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.43
CASP6 P55212 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
HTR3A P46098 1/20 0.42
TP53 P04637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GLA P06280 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL846680 0.86 KMT2A (0.55) KMT2ACASP6ALDH1A1KDM4EMAPT
SCHEMBL14678 0.84 CYP1A2 (0.57) CYP1A2ALDH1A1KDM4EMAPTHTR3A
SCHEMBL29418017 0.84 CYP1A2 (0.57) CYP1A2ALDH1A1KDM4EMAPTHTR3A
Hydrochloric Acid SCHEMBL8324913 0.82 CYP1A2 (0.55) CYP1A2ALDH1A1KDM4EMAPTHTR3A
Hydrochloric Acid SCHEMBL7362443 0.82 CYP1A2 (0.55) CYP1A2ALDH1A1KDM4EMAPTHTR3A
Hydrochloric Acid SCHEMBL29862578 0.82 CYP1A2 (0.55) CYP1A2ALDH1A1KDM4EMAPTHTR3A
Ethylene SCHEMBL28325267 0.81 CYP1A2 (0.53) CYP1A2ALDH1A1KDM4EMAPTHTR3A
SCHEMBL2853700 0.76 ALDH1A1 (0.56) KMT2ACYP1A2ALDH1A1KDM4EMAPT
Quinoline SCHEMBL28292612 0.76 ALDH1A1 (0.67) KMT2ACYP1A2CASP6ALDH1A1KDM4E
Acetic Acid SCHEMBL7836636 0.73 MGAM (0.57) KMT2ACYP1A2ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 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-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 KMT2A 2415/4885CYP1A2 905/4885CASP6 3563/4885

“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.