SCHEMBL7982080

SCHEMBL7982080

COc1ccc(CN2Cc3cc(C(=O)O)c(F)cc3C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.47
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
CYP3A4 P08684 1/20 0.41
DPP4 P27487 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41

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
SCHEMBL7985081 0.90 ALDH1A1 (0.47) CHRM1LMNAHTTNPSR1MEN1
SCHEMBL7979545 0.88 BRD4 (0.45) CHRM1LMNAHTTMEN1KMT2A
SCHEMBL7983775 0.86 MEN1 (0.45) LMNAHTTMEN1KMT2APOLB
SCHEMBL7970248 0.86 IDH1 (0.42) LMNAHTTMEN1KMT2ACYP3A4
SCHEMBL7983778 0.85 CNR1 (0.49) ALDH1A1
SCHEMBL30059330 0.84 PARK7 (0.46) LMNAHTTNPSR1MEN1KMT2A
SCHEMBL7984900 0.81 L3MBTL1 (0.53) MEN1KMT2APOLBHDAC6SMN1; SMN2
SCHEMBL7979501 0.81 L3MBTL1 (0.53) MEN1KMT2APOLBHDAC6ALDH1A1
SCHEMBL28638917 0.81 KMT2A (0.47) LMNAHTTMEN1KMT2ACYP3A4
SCHEMBL30604612 0.81 KMT2A (0.47) LMNAHTTMEN1KMT2ACYP3A4

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-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 CHRM1 2560/4885LMNA 4210/4885HTT 370/4885

“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.