SCHEMBL9907644

SCHEMBL9907644

Cc1nc2ccc(C(=O)O)cc2c(-c2ccc(F)cc2Cl)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.48
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.45
HPGD P15428 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CASP3 P42574 2/20 0.42
GRM2 Q14416 1/20 0.42
DHODH Q02127 2/20 0.42
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
RARA P10276 3/20 0.40
RARB P10826 3/20 0.40
RARG P13631 3/20 0.40
USP2 O75604 1/20 0.40
APOBEC3A P31941 1/20 0.40
YWHAG P61981 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
SCHEMBL9907736 0.91 ALDH1A1 (0.47) HTR5ATDP1ALDH1A1POLBHPGD
SCHEMBL9907593 0.88 HTR5A (0.56) HTR5ATDP1ALDH1A1POLBHPGD
SCHEMBL9907633 0.87 ALDH1A1 (0.55) HTR5AALDH1A1POLBHPGDL3MBTL1
SCHEMBL9907899 0.86 HTR5A (0.69) HTR5AGRM2PTPN11
SCHEMBL9907632 0.84 KMT2A (0.49) HTR5ATDP1ALDH1A1POLBHPGD
SCHEMBL9907449 0.82 HTR5A (0.50) HTR5AGRM2RARARARBRARG
SCHEMBL15500518 0.82 ALDH1A1 (0.40) HTR5ATDP1ALDH1A1HPGDL3MBTL1
SCHEMBL9907620 0.81 HTR5A (0.53) HTR5ATDP1ALDH1A1POLBHPGD
SCHEMBL9907553 0.81 HTR5A (0.48) HTR5ATDP1ALDH1A1POLBHPGD
SCHEMBL9907646 0.81 CSNK2A2 (0.46) HTR5ATDP1ALDH1A1POLBHPGD

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 5 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
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 HTR5A 1/4885TDP1 964/4885ALDH1A1 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.