SCHEMBL10064307

SCHEMBL10064307

N#Cc1ccc2ccc(C(=O)O)cc2c1-c1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.39
KDM4A O75164 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
KMO O15229 2/20 0.38
RORC P51449 3/20 0.37
TTR P02766 2/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
PPARG P37231 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DHFR P00374 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
ALB P02768 1/20 0.36

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
SCHEMBL10063691 0.86 CSNK2A2 (0.41) SLC22A12RORCTTRPLA2G2D
SCHEMBL10064299 0.86 IDH1 (0.41) KDM4EMEN1LMNAHPGDKMT2A
SCHEMBL10064017 0.86 SLC22A12 (0.39) SLC22A12ESR1ESR2ALDH1A1HPGD
SCHEMBL10064302 0.84 HTR5A (0.55) HTR5A
SCHEMBL10064019 0.83 BCL2L1 (0.46) SLC22A12TTRESR1NR3C2
SCHEMBL10063768 0.82 SLC22A12 (0.45) SLC22A12
SCHEMBL617022 0.81 TTR (0.45) SLC22A12RORCTTRALDH1A1HPGD
SCHEMBL16503614 0.79 HTR5A (0.41) ESR1ESR2HTR5A
SCHEMBL10063756 0.79 SLC22A12 (0.48) SLC22A12ALDH1A1HPGDNR3C2PLA2G2D
SCHEMBL7916522 0.78 PLA2G2D (0.44) SLC22A12PLA2G2D

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) ASTELLAS PHARMA INC. (JP) 2012-02-16 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-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) HTR5A, HTR2A, HTR1A SLC22A12 1219/4885KDM4A 2081/4885KDM5A 192/4885

“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.