SCHEMBL15533780

SCHEMBL15533780

CC(C)N(Cc1cccc(-c2nccs2)c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.59
LMNA P02545 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
NPSR1 Q6W5P4 4/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
HTT P42858 2/20 0.45
CYP2D6 P10635 2/20 0.45
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.44
P2RX4 Q99571 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
KCNB1 Q14721 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42

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
SCHEMBL15533520 0.93 NTRK1 (0.59) NTRK1P2RX4KCNB1
SCHEMBL16714219 0.91 NTRK1 (0.60) NTRK1LMNANPSR1KMT2AKDM4E
SCHEMBL15534190 0.84 NTRK1 (0.60) NTRK1KMT2AMEN1KCNB1PTGDR2
SCHEMBL15533652 0.84 NTRK1 (0.79) NTRK1P2RX4KCNB1
SCHEMBL16714193 0.83 NTRK1 (0.65) NTRK1LMNAL3MBTL1KMT2AKDM4E
SCHEMBL15533453 0.83 NTRK1 (0.70) NTRK1KCNB1
SCHEMBL15533697 0.82 NTRK1 (0.60) NTRK1KMT2AKDM4EALDH1A1MAPT
SCHEMBL16714210 0.82 NTRK1 (0.66) NTRK1NPSR1P2RX4KCNB1
SCHEMBL15533564 0.81 NTRK1 (0.72) NTRK1NPSR1ALDH1A1SMN1; SMN2KCNB1
SCHEMBL15533533 0.80 NTRK1 (0.75) NTRK1NPSR1KCNB1PTGDR2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150141428-A1 TrkA Kinase Inhibitors, Compositions and Methods Thereof MERCK SHARP & DOHME CORP. (US) 2015-05-21 US claimed
EP-2858501-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF Merck Sharp & Dohme Corp. (US) 2015-04-15 EP claimed
WO-2013176970-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2013-11-28 WO claimed
US-9181261-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2015-11-10 US disclosed
US-9181261-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2015-11-10 US disclosed
US-9181261-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2015-11-10 US disclosed
US-20150141428-A1 TrkA Kinase Inhibitors, Compositions and Methods Thereof MERCK SHARP & DOHME CORP. (US) 2015-05-21 US disclosed
US-20150141428-A1 TrkA Kinase Inhibitors, Compositions and Methods Thereof MERCK SHARP & DOHME CORP. (US) 2015-05-21 US disclosed
US-20150141428-A1 TrkA Kinase Inhibitors, Compositions and Methods Thereof MERCK SHARP & DOHME CORP. (US) 2015-05-21 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-20150141428-A1 TrkA Kinase Inhibitors, Compositions and Methods Thereof NGF, NGFR, NTRK1 NTRK1 3/4885LMNA 1277/4885L3MBTL1 2939/4885

“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.