SCHEMBL13777960

SCHEMBL13777960

COC(=O)c1ccc(-c2nc(NCc3ccc(Cl)cc3Cl)c3c(ccn3C)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
NLRP1 Q9C000 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 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
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
NLRP3 Q96P20 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
SCHEMBL13777964 0.86 HPGD (0.45) HPGDNPSR1LMNAMAPK1NLRP1
SCHEMBL14114927 0.81 MET (0.39) HPGDNPSR1ALDH1A1
SCHEMBL13777959 0.79 PREP (0.41) HPGDNPSR1ALDH1A1
SCHEMBL4206499 0.79 PDE2A (0.42) HPGDNPSR1LMNATSHRALDH1A1
SCHEMBL13780274 0.71 HPGD (0.51) HPGDNPSR1LMNAMAPK1NLRP1
SCHEMBL13780220 0.70 HRH4 (0.43) NPSR1LMNAKDM4EHIF1A
SCHEMBL13778093 0.69 PDE4A (0.51) HDAC1HDAC8HDAC6KDM4ESMN1; SMN2
SCHEMBL13778219 0.69 MAPT (0.41) HPGDLMNACYP1A2CYP3A4CYP2C9
SCHEMBL4203250 0.69 CCNE1 (0.50) HPGDNPSR1NLRP3
SCHEMBL29336076 0.68 LMNA (0.76) LMNAMAPK1NLRP1TSHRSMN1; 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 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 1489/4885LMNA 4719/4885

“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.