SCHEMBL10097676

SCHEMBL10097676

CCCNC(=O)Nc1ccc(-c2c(N)c3ccc(OCc4csc(C)n4)cc3n2CC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
ALOX5AP P20292 1/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
KDR P35968 3/20 0.36
TP53 P04637 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAPK14 Q16539 2/20 0.35
LMNA P02545 2/20 0.35
THRB P10828 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CASP3 P42574 1/20 0.34
HTT P42858 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34

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
SCHEMBL10096668 0.89 MAPT (0.40) MAPTALOX5APRAB9ACYP1A2CYP2C19
SCHEMBL10097378 0.81 ALDH1A1 (0.39) MAPTRAB9ACYP1A2CYP2C19KMT2A
SCHEMBL10097622 0.81 KMT2A (0.43) MAPTRAB9AKMT2AMEN1NPC1
SCHEMBL10097442 0.79 MAPT (0.47) MAPTKMT2AKDRTP53LMNA
SCHEMBL12109162 0.79 KMT2A (0.39) MAPTRAB9ACYP1A2CYP2C19KMT2A
SCHEMBL13151984 0.79 KDR (0.37) MAPTRAB9ACYP1A2CYP2C19KDR
SCHEMBL12950378 0.79 KMT2A (0.43) MAPTRAB9ACYP1A2CYP2C19KMT2A
SCHEMBL12108935 0.78 MAPT (0.45) MAPTRAB9ACYP1A2CYP2C19KMT2A
SCHEMBL10097643 0.78 MAPT (0.42) MAPTRAB9AKMT2ATP53LMNA
SCHEMBL10097494 0.77 MAPT (0.48) MAPTKMT2AKDRTP53LMNA

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-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 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 (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-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS MAPT 4477/4885ALOX5AP 3475/4885RAB9A 2829/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MAPT 4044/4885ALOX5AP 2200/4885RAB9A 2969/4885

“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.