SCHEMBL3610679

SCHEMBL3610679

CCOC(=O)C(C#N)=Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.67
HTT P42858 2/20 0.67
PKM P14618 1/20 0.67
MAPT P10636 6/20 0.64
KMT2A Q03164 4/20 0.64
MEN1 O00255 2/20 0.64
PDCD1 Q15116 1/20 0.63
CD274 Q9NZQ7 1/20 0.63
CRHBP P24387 1/20 0.62
CRHR2 Q13324 1/20 0.62
KDM4E B2RXH2 2/20 0.62
PTP4A1 Q93096 1/20 0.59
LMNA P02545 2/20 0.58
TDP1 Q9NUW8 2/20 0.56
NPC1 O15118 1/20 0.56
MAPK1 P28482 1/20 0.56
CASP3 P42574 1/20 0.56
RAB9A P51151 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56

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
SCHEMBL3610678 1.00 ALDH1A1 (0.67) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL15082797 1.00 ALDH1A1 (0.67) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL2260436 0.88 MAPT (0.66) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL2260434 0.88 MAPT (0.66) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL2138516 0.87 ALDH1A1 (0.80) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL2138512 0.87 ALDH1A1 (0.80) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL4317761 0.85 ALDH1A1 (0.81) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL2139678 0.85 ALDH1A1 (0.81) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL2139676 0.85 ALDH1A1 (0.81) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL2576359 0.85 ALDH1A1 (0.71) ALDH1A1HTTPKMMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063080-A1 CXCR2 inhibitors PRESS NEIL JOHN 2010-03-11 US disclosed
EP-2086947-A1 PYRIMIDINES AND THEIR USE AS CXCR2 RECEPTOR ANTAGONISTS Novartis AG (CH) 2009-08-12 EP disclosed
WO-2008061740-A1 PYRIMIDINES AND THEIR USE AS CXCR2 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2008-05-29 WO 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-20100063080-A1 CXCR2 inhibitors CXCR2, CXCR1, CXCR3 ALDH1A1 931/4885HTT 4202/4885PKM 4225/4885

“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.