SCHEMBL10097813

SCHEMBL10097813

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 3/20 0.37
LCK P06239 3/20 0.36
HCK P08631 3/20 0.36
SRC P12931 2/20 0.36
KDR P35968 2/20 0.36
BRD4 O60885 1/20 0.36
ABL1 P00519 1/20 0.36
RET P07949 1/20 0.36
KIT P10721 1/20 0.36
PDGFRA P16234 1/20 0.36
TEK Q02763 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 4/20 0.36
TTK P33981 1/20 0.35
MAPK8 P45983 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
SCHEMBL13152159 0.93 ALDH1A1 (0.38) ALDH1A1HDAC1HDAC2MEN1KMT2A
SCHEMBL13152501 0.92 SMN1; SMN2 (0.42) ALDH1A1HDAC1HDAC2MEN1KMT2A
SCHEMBL10097501 0.92 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL13152662 0.91 RAB9A (0.39) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL13152676 0.90 ALDH1A1 (0.41) ALDH1A1HDAC1HDAC2MEN1KMT2A
SCHEMBL10097722 0.89 ALDH1A1 (0.42) ALDH1A1HDAC1HDAC2MEN1KMT2A
SCHEMBL12949972 0.89 MEN1 (0.38) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL10097623 0.89 MEN1 (0.38) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL14467124 0.89 MEN1 (0.38) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL10097484 0.89 RAB9A (0.43) ALDH1A1MEN1KMT2ARAB9AKDR

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-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 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 ALDH1A1 1497/4885HDAC1 591/4885HDAC2 951/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP ALDH1A1 1067/4885HDAC1 833/4885HDAC2 1342/4885

“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.