SCHEMBL7601695

SCHEMBL7601695

Cc1ccc2c(=O)c(C)noc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 5/20 0.40
RECQL P46063 1/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 1/20 0.40
CHRNA7 P36544 2/20 0.39
HTR3A P46098 2/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
NOS1 P29475 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HTT P42858 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL4399692 0.88 CHRNB2 (0.45) BRD4MAPTALDH1A1RECQLHPGD
SCHEMBL5985206 0.76 MAPT (0.53) BRD4MAPTCHRNB2CHRNA4LMNA
SCHEMBL13808484 0.76 ELANE (0.43) BRD4MAPTALDH1A1RECQLLMNA
SCHEMBL8175559 0.74 ALDH1A1 (0.55) MAPTALDH1A1HPGDGAANOS1
SCHEMBL31124704 0.74 ALDH1A1 (0.55) MAPTALDH1A1HPGDGAANOS1
SCHEMBL10764066 0.74 MAPT (0.42) MAPTALDH1A1RECQLHPGDGAA
SCHEMBL23474002 0.73 MAPT (0.42) MAPTALDH1A1HPGDGAACHRNA7
SCHEMBL25591522 0.73 CHRNA7 (0.40) BRD4MAPTALDH1A1HPGDGAA
SCHEMBL8233882 0.73 F9 (0.47) MAPTALDH1A1HPGDGAACHRNA7
SCHEMBL1101176 0.73 ESR1 (0.45) MAPTCHRNA7HTR3AESR1ESR2

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-8921369-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-20130096101-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-04-18 US disclosed
US-20120122864-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-17 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 (2 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-20130096101-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 BRD4 1443/4885MAPT 3230/4885ALDH1A1 3636/4885
US-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 BRD4 1475/4885MAPT 3250/4885ALDH1A1 3492/4885

“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.