SCHEMBL9907553

SCHEMBL9907553

Cc1nc2ccc(C(=O)O)cc2c(-c2ccc(F)cc2F)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 4/20 0.48
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.47
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CASP3 P42574 3/20 0.42
DHODH Q02127 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
APOBEC3A P31941 1/20 0.40
HTT P42858 1/20 0.40
YWHAG P61981 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
PTGFR P43088 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
SCHEMBL9907736 0.91 ALDH1A1 (0.47) HTR5AALDH1A1POLBHPGDL3MBTL1
SCHEMBL9907593 0.88 HTR5A (0.56) HTR5AALDH1A1POLBHPGDL3MBTL1
SCHEMBL9907545 0.87 ALDH1A1 (0.58) HTR5AALDH1A1HPGDL3MBTL1LMNA
SCHEMBL9907551 0.87 LMNA (0.57) HTR5AALDH1A1POLBHPGDL3MBTL1
SCHEMBL9907868 0.86 HTR5A (0.68) HTR5ALMNASMN1; SMN2
SCHEMBL9907607 0.84 ALDH1A1 (0.50) HTR5AALDH1A1POLBHPGDL3MBTL1
SCHEMBL12874519 0.82 ALDH1A1 (0.43) HTR5AALDH1A1POLBHPGDL3MBTL1
SCHEMBL9907644 0.81 HTR5A (0.48) HTR5AALDH1A1POLBHPGDL3MBTL1
SCHEMBL9907497 0.80 HTR5A (0.72) HTR5AKDM4AKDM5AKDM4CKDM5B
SCHEMBL9907400 0.80 HTR5A (0.54) HTR5ADHODHKDM4AKDM5AKDM4C

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 HTR5A 1/4885ALDH1A1 1799/4885POLB 4245/4885

“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.