SCHEMBL4335855

SCHEMBL4335855

O=C(NCC1CCCCO1)c1nc(Cc2cccnc2)n2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
GLA P06280 3/20 0.51
GAA P10253 3/20 0.51
CASP1 P29466 3/20 0.51
CASP7 P55210 3/20 0.51
HSD17B10 Q99714 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
RXFP1 Q9HBX9 5/20 0.47
HTR4 Q13639 3/20 0.47
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KLK7 P49862 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL4334535 0.84 HTR4 (0.48) HPGDKDM4EALDH1A1GLAGAA
SCHEMBL13578026 0.80 RXFP1 (0.45) HPGDKDM4EALDH1A1GLAGAA
SCHEMBL4335030 0.77 CNR2 (0.59) KDM4EALDH1A1HSD17B10HTR4CYP2D6
SCHEMBL4326034 0.77 CNR2 (0.43) KDM4EALDH1A1GAAHSD17B10HTR4
SCHEMBL4322895 0.77 KDM4E (0.47) HPGDKDM4EALDH1A1GAAHSD17B10
SCHEMBL13578345 0.76 CNR2 (0.61) HPGDKDM4EALDH1A1GLAGAA
SCHEMBL4335813 0.76 PDE4A (0.52) SMN1; SMN2LMNAPOLBRAB9ANAMPT
SCHEMBL4332629 0.75 KDM4E (0.48) HPGDKDM4EALDH1A1GAAHSD17B10
SCHEMBL4326314 0.75 HTT (0.47) HPGDKDM4EALDH1A1GAACASP1
SCHEMBL4329117 0.75 ROCK2 (0.44) HPGDKDM4EALDH1A1HSD17B10SMN1; SMN2

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 HPGD 428/4885KDM4E 2430/4885ALDH1A1 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.