SCHEMBL10191985

SCHEMBL10191985

CCn1c(-c2cccc(NC(=O)Nc3cccc(C)c3)c2)c(C#N)c2ccc(OC)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.47
MAPT P10636 8/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
KDM4E B2RXH2 2/20 0.43
GRIK2 Q13002 1/20 0.42
NTRK1 P04629 2/20 0.42
NTRK2 Q16620 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
TSHR P16473 1/20 0.42
CNR1 P21554 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL10095483 0.96 MAPT (0.47) IMPDH2MAPTMEN1KMT2ALMNA
SCHEMBL10095588 0.95 TP53 (0.45) IMPDH2MAPTMEN1KMT2ALMNA
SCHEMBL10095587 0.91 MTNR1B (0.46) MAPTMEN1KMT2ALMNANPC1
SCHEMBL10095569 0.91 DDX3X (0.44) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL10095532 0.90 MAPT (0.42) MAPTMEN1KMT2ALMNANPC1
SCHEMBL10095515 0.90 MTNR1A (0.44) MAPTMEN1KMT2ALMNANPC1
SCHEMBL10095577 0.90 NTRK1 (0.47) MAPTMEN1KMT2ALMNANPC1
SCHEMBL10095560 0.89 MAPT (0.41) MAPTMEN1KMT2ALMNANPC1
SCHEMBL10095576 0.89 ITGB3 (0.45) MAPTMEN1KMT2ALMNANPC1
SCHEMBL981888 0.89 MAPK1 (0.48) MAPTMEN1KMT2ALMNANPC1

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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 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 (4 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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 IMPDH2 250/4885MAPT 3963/4885MEN1 4550/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS IMPDH2 404/4885MAPT 3547/4885MEN1 4825/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS IMPDH2 477/4885MAPT 4416/4885MEN1 4815/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS IMPDH2 812/4885MAPT 4477/4885MEN1 4800/4885

“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.