SCHEMBL9907499

SCHEMBL9907499

COC(=O)c1ccc2ncc(Cl)c(-c3ccccc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 2/20 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
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALOX15 P16050 1/20 0.45
PDE5A O76074 2/20 0.44
NEK1 Q96PY6 1/20 0.44
AXL P30530 1/20 0.44
SGK1 O00141 1/20 0.44
CAMKK2 Q96RR4 1/20 0.44

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) TP53HTTALDH1A1HPGDMAPT
SCHEMBL9907498 0.88 PIK3CD (0.50) MEN1KMT2ATP53HTTHPGD
SCHEMBL9909182 0.88 CA1 (0.47) PLA2G2AMEN1KMT2AHTTALDH1A1
SCHEMBL9907565 0.86 TP53 (0.47) TP53HTTALDH1A1MAPTSMN1; SMN2
SCHEMBL9907356 0.86 NR1H2 (0.49) PLA2G2AMEN1KMT2ATP53HTT
SCHEMBL9907501 0.85 IP6K1 (0.49) TP53HTTALDH1A1HPGDMAPT
SCHEMBL9909232 0.85 EGLN2 (0.44) TP53HTTALOX15PDE5APAX8
SCHEMBL9907566 0.85 CSNK2A1 (0.39) TP53HTTALDH1A1MAPTSMN1; SMN2
SCHEMBL9907491 0.83 HTR5A (0.52) TP53HTTMAPTSMN1; SMN2ALOX15
SCHEMBL9907506 0.81 TP53 (0.52) TP53HTTALDH1A1HPGDMAPT

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 6 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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
EP-2463276-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 EP disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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 PLA2G2A 1387/4885MEN1 3631/4885KMT2A 1729/4885

“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.