SCHEMBL9907438

SCHEMBL9907438

Cc1cnc2ccc(C(=O)O)cc2c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
CYP3A4 P08684 1/20 0.42
KDM4C Q9H3R0 2/20 0.42
KDM4E B2RXH2 2/20 0.41
SRD5A1 P18405 1/20 0.41
DHODH Q02127 1/20 0.40
NPC1 O15118 1/20 0.40
CRHBP P24387 1/20 0.40
RAB9A P51151 1/20 0.40
CRHR2 Q13324 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
HTR5A P47898 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 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
SCHEMBL9907449 0.88 HTR5A (0.50) HTR5ATNKS2RARARARBRARG
SCHEMBL9907448 0.88 HTR5A (0.47) SRD5A2ALDH1A1MAPTCYP3A4KDM4C
SCHEMBL9907430 0.87 NR1H2 (0.43) ALDH1A1MAPTKDM4ESMN1; SMN2CSNK2A2
SCHEMBL9907575 0.85 HTR5A (0.47) SRD5A2MRGPRX4ALDH1A1MAPTCYP3A4
SCHEMBL9907829 0.84 HTR5A (0.59) HTR5A
SCHEMBL12875074 0.83 HTR5A (0.51) SRD5A2ALDH1A1CYP3A4HTR5A
SCHEMBL9907386 0.82 SLC22A12 (0.41) MRGPRX4ALDH1A1KDM4EDHODHFABP3
SCHEMBL9907601 0.81 HTR5A (0.47) MRGPRX4ALDH1A1MAPTKDM4ENPC1
SCHEMBL15500549 0.79 HTR5A (0.50) ALDH1A1KDM4ESMN1; SMN2HTR5A
SCHEMBL9907400 0.78 HTR5A (0.54) KDM4CDHODHHTR5AKDM5B

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 SRD5A2 509/4885MRGPRX4 1163/4885ALDH1A1 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.