SCHEMBL9907600

SCHEMBL9907600

COC(=O)c1ccc2ncc(Cl)c(-c3ccc(C)cc3Cl)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.45
MAPT P10636 6/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 2/20 0.42
PAX8 Q06710 1/20 0.41
KDM4E B2RXH2 5/20 0.40
TDP1 Q9NUW8 2/20 0.40
MITF O75030 1/20 0.40
KMT2A Q03164 1/20 0.40
CSNK2A1 P68400 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CREBBP Q92793 1/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL9907595 0.90 HTR5A (0.55) HTR5AMAPTALDH1A1HPGDTP53
SCHEMBL9909273 0.87 HTR5A (0.44) HTR5AMAPTALDH1A1HPGDTP53
SCHEMBL9907601 0.87 HTR5A (0.47) HTR5AMAPTALDH1A1HPGDTP53
SCHEMBL9907564 0.86 TDP1 (0.45) HTR5AMAPTALDH1A1HPGDTP53
SCHEMBL9907565 0.86 TP53 (0.47) HTR5AMAPTALDH1A1TP53PAX8
SCHEMBL9907559 0.85 HTR5A (0.44) HTR5AMAPTALDH1A1TP53PAX8
SCHEMBL9907596 0.83 HTR5A (0.55) HTR5AMAPTHPGDTP53PAX8
SCHEMBL9907430 0.83 NR1H2 (0.43) MAPTALDH1A1TP53PAX8KDM4E
SCHEMBL9909230 0.82 MEN1 (0.44) HTR5AMAPTTP53KDM4EKMT2A
SCHEMBL9103249 0.82 HTR5A (0.67) HTR5AMAPTHPGDKDM4EKMT2A

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 2 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

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 HTR5A 1/4885MAPT 342/4885ALDH1A1 1799/4885

“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.