SCHEMBL3596573

SCHEMBL3596573

O=C(NCc1ccccc1)c1cs[c]n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.55
HPGD P15428 2/20 0.55
GLA P06280 1/20 0.55
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ROCK2 O75116 1/20 0.48
RPS6KA5 O75582 1/20 0.48
MAP4K4 O95819 1/20 0.48
PRKCG P05129 1/20 0.48
PRKACA P17612 1/20 0.48
RPS6KB1 P23443 1/20 0.48
MAPK1 P28482 1/20 0.48
AKT1 P31749 1/20 0.48
GSK3A P49840 1/20 0.48

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
SCHEMBL4474111 0.79 CNR1 (0.39) HPGDALDH1A1CYP2C19SMN1; SMN2NPC1
SCHEMBL31689135 0.75 ALDH1A1 (0.70) MMP13HPGDGLAALDH1A1CYP1A2
SCHEMBL3083971 0.74 HTT (0.75) MMP13HPGDALDH1A1SMN1; SMN2ROCK2
SCHEMBL29733373 0.74 HTT (0.75) MMP13HPGDALDH1A1SMN1; SMN2ROCK2
SCHEMBL9263348 0.74 MMP13 (0.56) MMP13HPGDGLAALDH1A1CYP1A2
SCHEMBL19476144 0.74 MMP13 (0.60) MMP13HPGDGLAALDH1A1CYP1A2
SCHEMBL21753196 0.74 HPGD (0.79) MMP13HPGDGLAALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL27924615 0.73 HTT (0.73) MMP13HPGDALDH1A1SMN1; SMN2ROCK2
SCHEMBL27306159 0.73 HPGD (0.62) MMP13HPGDGLAALDH1A1CYP1A2
SCHEMBL20726555 0.72 SMN1; SMN2 (0.56) MMP13HPGDGLAALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 US disclosed
US-7615555-B2 Piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US disclosed
CN-1972923-A Piperidine derivatives as modulators of chemokine receptor ccr5 ASTRAZENECA AB (SE) 2007-05-30 CN 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 (2 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-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 CCR5, CCR2, CXCR3 MMP13 1835/4885HPGD 436/4885GLA 4799/4885
US-20070167442-A1 Chemical compounds CCR5, CXCR3, CX3CR1 MMP13 2103/4885HPGD 365/4885GLA 3262/4885

“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.