SCHEMBL10097617

SCHEMBL10097617

CCn1c(-c2cccc(NC(=O)Nc3ccc(C)cc3)c2)c(N)c2ccc(OC)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
TSHR P16473 2/20 0.47
CNR1 P21554 2/20 0.47
NTRK1 P04629 1/20 0.47
NTRK2 Q16620 1/20 0.47
MAPT P10636 6/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
CDK8 P49336 2/20 0.43
LMNA P02545 3/20 0.42
MAPK1 P28482 2/20 0.42
ALOX15 P16050 1/20 0.42
KDR P35968 2/20 0.42
PDGFRB P09619 1/20 0.42
ALDH1A1 P00352 3/20 0.41
RAF1 P04049 1/20 0.41
STAT1 P42224 1/20 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
SCHEMBL10097283 0.94 TSHR (0.47) TP53TSHRCNR1NTRK1NTRK2
SCHEMBL10097305 0.91 CDK8 (0.50) TP53TSHRCNR1NTRK1NTRK2
SCHEMBL10097706 0.90 TRPV1 (0.49) TP53TSHRCNR1NTRK1NTRK2
SCHEMBL10251118 0.90 MEN1 (0.48) TP53TSHRCNR1NTRK1NTRK2
SCHEMBL10252489 0.90 SMN1; SMN2 (0.41) TP53TSHRMAPTMEN1KMT2A
SCHEMBL10252373 0.89 MTNR1B (0.48) TP53TSHRCNR1NTRK1NTRK2
SCHEMBL10252499 0.88 DDX3X (0.47) TSHRNTRK1NTRK2MAPTMEN1
SCHEMBL13151847 0.88 KDM4E (0.42) TP53TSHRCNR1NTRK1NTRK2
SCHEMBL13151733 0.88 MTNR1A (0.46) TSHRMAPTMEN1KMT2ARAB9A
SCHEMBL10097284 0.87 NPC1 (0.47) TP53TSHRNTRK1NTRK2MAPT

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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS TP53 3022/4885TSHR 4324/4885CNR1 1207/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP TP53 1710/4885TSHR 4239/4885CNR1 2056/4885

“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.