SCHEMBL4334535

SCHEMBL4334535

O=C(NCC1CCCCO1)c1nc(-c2cccnc2)n2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.48
HPGD P15428 7/20 0.47
ALDH1A1 P00352 7/20 0.47
HSD17B10 Q99714 5/20 0.47
KDM4E B2RXH2 5/20 0.47
GLA P06280 3/20 0.47
GAA P10253 3/20 0.47
CASP1 P29466 3/20 0.47
CASP7 P55210 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RXFP1 Q9HBX9 6/20 0.47
ATM Q13315 1/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 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
SCHEMBL4329936 0.84 HTR4 (0.58) HTR4CYP2D6
SCHEMBL4335855 0.84 HPGD (0.51) HTR4HPGDALDH1A1HSD17B10KDM4E
SCHEMBL13578345 0.77 CNR2 (0.61) HTR4HPGDALDH1A1HSD17B10KDM4E
SCHEMBL4327243 0.77 ALDH1A1 (0.55) HPGDALDH1A1HSD17B10KDM4EGAA
SCHEMBL4332986 0.76 RAB9A (0.47) HPGDALDH1A1HSD17B10KDM4EGAA
SCHEMBL4332312 0.75 CNR2 (0.62) HTR4HPGDALDH1A1GAASMN1; SMN2
SCHEMBL23657774 0.75 ALDH1A1 (0.49) HTR4HPGDALDH1A1HSD17B10KDM4E
SCHEMBL4325871 0.74 RAB9A (0.46) HPGDALDH1A1HSD17B10KDM4EGAA
SCHEMBL12725797 0.73 CYP1A2 (0.59) HPGDALDH1A1HSD17B10KDM4ESMN1; SMN2
Trifluoroacetic Acid SCHEMBL4330710 0.73 CNR2 (0.56) HTR4HPGDALDH1A1HSD17B10KDM4E

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-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 US disclosed
US-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 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-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES CNR2, CNR1, TRPV1 HTR4 254/4885HPGD 428/4885ALDH1A1 2838/4885

“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.