SCHEMBL13777964

SCHEMBL13777964

COC(=O)c1ccc(-c2nc(NCc3ccc(Cl)cc3Cl)c3c(cnn3C)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
P2RX7 Q99572 5/20 0.43
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
NLRP1 Q9C000 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
TSHR P16473 2/20 0.38
CYP2C19 P33261 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL13777960 0.86 HPGD (0.46) HPGDNPSR1LMNAMAPK1NLRP1
SCHEMBL13778219 0.83 MAPT (0.41) HPGDLMNACYP1A2CYP3A4CYP2C9
SCHEMBL13777966 0.80 PREP (0.40) HPGDNPSR1P2RX7ALDH1A1
SCHEMBL13777965 0.79 PDE2A (0.52) HPGDNPSR1P2RX7LMNAALDH1A1
SCHEMBL13780274 0.71 HPGD (0.51) HPGDNPSR1LMNAMAPK1NLRP1
SCHEMBL4203250 0.70 CCNE1 (0.50) HPGDNPSR1NLRP3
SCHEMBL22245241 0.70 PDE9A (0.59) P2RX7LMNAROCK2ROCK1TSHR
SCHEMBL13778093 0.69 PDE4A (0.51) HDAC1HDAC8HDAC6KDM4ESMN1; SMN2
SCHEMBL14114927 0.69 MET (0.39) HPGDNPSR1P2RX7ALDH1A1
SCHEMBL13780217 0.68 CCR4 (0.67)

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-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 US disclosed
US-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 US disclosed
EP-1956009-A1 AROMATIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-13 EP 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-20090182142-A1 Aromatic Compound HRH4, CCR4, HRH3 HPGD 2189/4885NPSR1 1489/4885P2RX7 1212/4885

“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.