SCHEMBL18539738

SCHEMBL18539738

CCOCc1nc(-c2ccccc2)ncc1NC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.46
HTT P42858 2/20 0.43
PTGS1 P23219 1/20 0.43
LIPE Q05469 3/20 0.43
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DEGS1 O15121 1/20 0.41
HDAC2 Q92769 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
FOS P01100 1/20 0.41
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 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
SCHEMBL18549680 0.91 NTRK1 (0.47) NTRK1HTTPTGS1LIPEKMT2A
SCHEMBL18660871 0.85 NTRK1 (0.51) NTRK1HTTPTGS1KMT2AKDM4E
SCHEMBL18549302 0.82 HTT (0.41) NTRK1HTTKMT2AKDM4ENPC1
SCHEMBL18539736 0.80 ALDH1A1 (0.41) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL18539731 0.80 HTT (0.37) NTRK1HTTKMT2AMEN1ADORA3
SCHEMBL18660852 0.79 SCN9A (0.41) NTRK1KMT2ANPC1RAB9AMEN1
SCHEMBL18660859 0.77 SCN9A (0.40) NTRK1KMT2ANPC1RAB9AMEN1
SCHEMBL18549729 0.76 RXFP1 (0.39) NTRK1KMT2ANPC1RAB9AMEN1
SCHEMBL18549713 0.74 NTRK1 (0.47) NTRK1PTGS1LIPENPC1RAB9A
SCHEMBL18549873 0.73 LMNA (0.40) NTRK1KMT2ANPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050934-A1 ETHERIC (ETHEREAL) OXYGEN ATOM-CONTAINING PERFLUOROALKYL GROUP-SUBSTITUTED PYRIMIDINE RING COMPOUND, AND METHOD FOR ITS PRODUCTION ASAHI GLASS COMPANY, LIMITED (JP) 2017-02-23 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-20170050934-A1 ETHERIC (ETHEREAL) OXYGEN ATOM-CONTAINING PERFLUOROALKYL GROUP-SUBSTITUTED PYRIMIDINE RING COMPOUND, AND METHOD FOR ITS PRODUCTION CYP2B6, PFAS, CYP2F1 NTRK1 1751/4885HTT 4272/4885PTGS1 2787/4885

“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.