SCHEMBL12373447

SCHEMBL12373447

CC(=O)C1(N(C)C)Cc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 2/20 0.42
NOTUM Q6P988 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35
HSD17B3 P37058 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL12861297 0.87 ATM (0.39) HDAC9NOTUMMEN1KMT2ASMN1; SMN2
SCHEMBL13388037 0.83 ALDH1A1 (0.38) HDAC9NOTUMMEN1KMT2ASMN1; SMN2
SCHEMBL753247 0.83 HDAC9 (0.42) HDAC9NOTUMMEN1KMT2ASMN1; SMN2
SCHEMBL18901791 0.79 HTR2A (0.35) HDAC9NOTUMMEN1KMT2ASMN1; SMN2
SCHEMBL13379439 0.79 HRH3 (0.38) HDAC9NOTUMMEN1KMT2ASMN1; SMN2
SCHEMBL8078233 0.76 NOTUM (0.45) HDAC9NOTUMMEN1KMT2ASMN1; SMN2
SCHEMBL30645248 0.76 NOTUM (0.45) HDAC9NOTUMMEN1KMT2ASMN1; SMN2
SCHEMBL8114506 0.74 NOTUM (0.43) HDAC9NOTUMALDH1A1HSD17B3NPC1
SCHEMBL17327809 0.73 HDAC9 (0.62) HDAC9NOTUMOPRM1OPRL1
SCHEMBL12571286 0.72 NOTUM (0.42) HDAC9NOTUMMEN1KMT2ASMN1; SMN2

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-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 US disclosed
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 US disclosed
US-8383094-B2 inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110039714-A1 Probes, Systems, and Methods for Drug Discovery VTVX HOLDINGS I LLC 2011-02-17 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 (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-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HDAC9 2625/4885NOTUM 1791/4885MEN1 4867/4885

“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.