SCHEMBL10097623

SCHEMBL10097623

CCOc1ccc2c(c1)c(N)c(-c1ccc(NC(=O)OC(C)CC)cc1)n2C1CCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 3/20 0.37
TTK P33981 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2A P28223 1/20 0.35
LMNA P02545 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
SCHEMBL10097404 0.93 MEN1 (0.38) MEN1KMT2AHPGDRAB9AALDH1A1
SCHEMBL13152662 0.93 RAB9A (0.39) MEN1KMT2AHPGDRAB9AALDH1A1
SCHEMBL10097726 0.93 MEN1 (0.36) MEN1KMT2AHPGDRAB9AALDH1A1
SCHEMBL14467124 0.92 MEN1 (0.38) MEN1KMT2AHPGDRAB9AALDH1A1
SCHEMBL12949972 0.92 MEN1 (0.38) MEN1KMT2AHPGDRAB9AALDH1A1
SCHEMBL10097501 0.90 ALDH1A1 (0.47) MEN1KMT2AHPGDRAB9AALDH1A1
SCHEMBL10097813 0.89 ALDH1A1 (0.40) MEN1KMT2AHPGDRAB9AALDH1A1
SCHEMBL12950272 0.89 MEN1 (0.40) MEN1KMT2AHPGDRAB9AALDH1A1
SCHEMBL13151995 0.88 MEN1 (0.43) MEN1KMT2AHPGDRAB9AALDH1A1
SCHEMBL12949974 0.88 BRD4 (0.40) MEN1KMT2ARAB9AALDH1A1TTK

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 6 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-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 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-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS MEN1 4800/4885KMT2A 4464/4885HPGD 3255/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MEN1 4860/4885KMT2A 4114/4885HPGD 1854/4885

“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.