SCHEMBL7916653

SCHEMBL7916653

COC(=O)c1ccc2cccc(-c3cccc(Cl)c3Cl)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.46
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 3/20 0.45
SLC6A3 Q01959 1/20 0.45
NQO2 P16083 1/20 0.44
LCK P06239 1/20 0.43
MAPT P10636 7/20 0.42
HTT P42858 2/20 0.42
ALOX15 P16050 1/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 2/20 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
SCHEMBL16502432 0.90 MAPT (0.48) TP53ALDH1A1KMT2ASLC6A3NQO2
SCHEMBL7919793 0.88 LCK (0.48) TP53ALDH1A1KMT2ANQO2LCK
SCHEMBL7921781 0.88 TP53 (0.46) TP53ALDH1A1KMT2ANQO2LCK
SCHEMBL16502488 0.88 TP53 (0.47) TP53ALDH1A1KMT2ANQO2LCK
SCHEMBL16502539 0.87 NPC1 (0.45) TP53ALDH1A1KMT2ANQO2LCK
SCHEMBL16502581 0.84 ALDH1A1 (0.53) TP53ALDH1A1KMT2ASLC6A3NQO2
SCHEMBL16502527 0.84 MAPT (0.47) TP53ALDH1A1KMT2ASLC6A3NQO2
SCHEMBL7908929 0.84 PLAU (0.48) TP53ALDH1A1KMT2ANQO2LCK
SCHEMBL16502742 0.84 ALOX15 (0.46) TP53ALDH1A1NQO2LCKMAPT
SCHEMBL7917291 0.84 TP53 (0.43) TP53ALDH1A1KMT2ANQO2LCK

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-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
US-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
WO-2010090304-A1 ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-12 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-20110306621-A1 ACYLGUANIDINE DERIVATIVES HTR5A, HTR2A, HTR1A TP53 2800/4885ALDH1A1 789/4885KMT2A 2627/4885

“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.