SCHEMBL10064211

SCHEMBL10064211

COc1cc(C#N)ccc1-c1c(C#N)ccc2ccc(C(=O)O)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.44
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ALK Q9UM73 1/20 0.40
PLA2G4A P47712 1/20 0.40
LTB4R Q15722 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA7 P43166 1/20 0.40
TPMT P51580 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
LMNA P02545 2/20 0.39
NR3C2 P08235 1/20 0.39
HTT P42858 2/20 0.38

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
SCHEMBL10063755 0.90 PLAU (0.44) ALDH1A1CYP11B1CYP11B2MRGPRX4
SCHEMBL16509491 0.88 SLC22A12 (0.43) SLC22A12ALKPLA2G4ALTB4RCA12
SCHEMBL16503629 0.86 ALDH1A1 (0.43) SLC22A12ALDH1A1HPGDCA12CA1
SCHEMBL10064021 0.85 HTR5A (0.39)
SCHEMBL16502436 0.83 SLC22A12 (0.47) SLC22A12PLA2G4ALTB4RCA12CA1
SCHEMBL9909257 0.79 SLC22A12 (0.42) SLC22A12ALDH1A1HPGDALKPLA2G4A
SCHEMBL16509509 0.78 MRGPRX4 (0.45) ALDH1A1RAB9AMRGPRX4
SCHEMBL16503633 0.77 MAPT (0.39) ALDH1A1KDM4EMAPK1
SCHEMBL10064303 0.76 LMNA (0.45) ALDH1A1HPGDCA12CA1CA2
SCHEMBL16502453 0.76 SLC22A12 (0.47) SLC22A12PLA2G4ALTB4RCA12CA1

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 1219/4885ALDH1A1 714/4885HPGD 510/4885

“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.