SCHEMBL9907376

SCHEMBL9907376

COC(=O)c1ccc2ccnc(-c3cccc(Cl)c3Cl)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.44
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.41
SLC6A3 Q01959 1/20 0.40
MAPT P10636 3/20 0.40
NQO2 P16083 1/20 0.40
ROCK1 Q13464 1/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL9907365 0.87 TP53 (0.47) TP53ALDH1A1L3MBTL1ALOX15HTT
SCHEMBL9907382 0.85 PLAU (0.47) HTTKMT2AKDM4ENPC1RAB9A
SCHEMBL7916653 0.83 TP53 (0.46) TP53ALDH1A1L3MBTL1HPGDALOX15
SCHEMBL9907698 0.82 HTR5A (0.43) TP53ALDH1A1L3MBTL1HPGDKMT2A
SCHEMBL16502612 0.82 ALOX15 (0.52) TP53ALDH1A1L3MBTL1HPGDALOX15
SCHEMBL9907377 0.82 ALPL (0.47) ALOX15HTTKMT2ASLC6A3MAPT
SCHEMBL9925229 0.82 HTR5A (0.40) MAPK1
SCHEMBL16502716 0.82 ALDH1A1 (0.48) TP53ALDH1A1L3MBTL1HPGDALOX15
SCHEMBL9907364 0.82 HTR5A (0.47) TP53ALDH1A1ALOX15HTTMAPT
SCHEMBL9907339 0.80 ALOX15 (0.49) TP53ALDH1A1HPGDALOX15HTT

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 4 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
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

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 TP53 3013/4885ALDH1A1 1799/4885L3MBTL1 3654/4885

“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.