SCHEMBL9909182

SCHEMBL9909182

COC(=O)c1ccc2ncc(Cl)c(-c3ccc(OC)cc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
PLA2G2A P14555 3/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
NPBWR1 P48145 1/20 0.42
RORC P51449 1/20 0.41
CSNK2A1 P68400 1/20 0.41

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
SCHEMBL9907564 0.89 TDP1 (0.45) HTTALDH1A1HPGDMAPTNPC1
SCHEMBL9909183 0.89 ALDH1A1 (0.50) CA1CA2HTTALDH1A1CYP1A2
SCHEMBL9907498 0.88 PIK3CD (0.50) HTTHPGDMAPTKMT2AMEN1
SCHEMBL9907499 0.88 PLA2G2A (0.48) HTTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9909273 0.86 HTR5A (0.44) CA1CA2HTTALDH1A1HPGD
SCHEMBL9909232 0.85 EGLN2 (0.44) HTTCSNK2A1ALOX15RHEB
SCHEMBL9907566 0.85 CSNK2A1 (0.39) HTTALDH1A1MAPTCSNK2A1ALOX15
SCHEMBL9909287 0.83 HTR5A (0.59) HTTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9909256 0.83 HTR5A (0.54) CA1CA2HTTCSNK2A1ALOX15
SCHEMBL9907565 0.80 TP53 (0.47) HTTALDH1A1MAPTCSNK2A1ALOX15

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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
WO-2011016504-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2011-02-10 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E CA1 3584/4885CA2 4025/4885HTT 970/4885

“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.