SCHEMBL615006

SCHEMBL615006

N#Cc1ccc2ccc(C(=O)O)cc2c1-c1c(F)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.46
RORC P51449 2/20 0.42
PPARG P37231 1/20 0.42
TTR P02766 3/20 0.40
PTGES O14684 2/20 0.40
PLA2G2D Q9UNK4 1/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR5A P47898 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
SLC16A3 O15427 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 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
SCHEMBL617022 0.91 TTR (0.45) MRGPRX4RORCTTRPLA2G2DSLC16A3
SCHEMBL617233 0.85 HTR5A (0.57) HTR5A
Hydrochloric Acid SCHEMBL617389 0.84 HTR5A (0.56) HTR5A
SCHEMBL615007 0.83 MRGPRX4 (0.37) MRGPRX4KDM4EMEN1ALDH1A1MAPT
SCHEMBL10064303 0.83 LMNA (0.45) MRGPRX4HTR5AALDH1A1
SCHEMBL10063691 0.81 CSNK2A2 (0.41) MRGPRX4RORCTTRPLA2G2DSLC16A3
SCHEMBL10064300 0.81 KDM4E (0.41) MRGPRX4TTRKDM4EMEN1ALDH1A1
SCHEMBL10064017 0.81 SLC22A12 (0.39) MRGPRX4PLA2G2DHTR5ASLC16A3ALDH1A1
SCHEMBL7916729 0.81 SLC22A12 (0.42) MRGPRX4RORCPPARGTTRPLA2G2D
SCHEMBL7920119 0.81 PLA2G2D (0.44) MRGPRX4RORCPPARGTTRPLA2G2D

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 3 patents. 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
US-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) ASTELLAS PHARMA INC. (JP) 2012-02-16 US disclosed
EP-2394988-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-14 EP 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 MRGPRX4 2803/4885RORC 3123/4885PPARG 338/4885

“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.