SCHEMBL17833837

SCHEMBL17833837

CC(C)CCNC(=O)c1cccc(Nc2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
TRPV1 Q8NER1 4/20 0.51
PAX8 Q06710 1/20 0.50
MCHR1 Q99705 1/20 0.50
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
ABL1 P00519 5/20 0.48
BCR P11274 1/20 0.48
NAMPT P43490 3/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48

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
SCHEMBL1499587 0.88 NAMPT (0.58) NPC1RAB9APAX8MEN1GAA
SCHEMBL12964539 0.88 NPC1 (0.50) NPC1RAB9ATRPV1MCHR1NAMPT
SCHEMBL12966949 0.88 MCHR1 (0.56) NPC1RAB9ATRPV1MCHR1NR1H4
SCHEMBL1499593 0.83 KCNK9 (0.61) NPC1RAB9APAX8MEN1GAA
SCHEMBL1499346 0.83 NPC1 (0.59) NPC1RAB9AMEN1KMT2ANR1H4
SCHEMBL1499289 0.82 KCNK9 (0.59) NPC1RAB9APAX8MEN1GAA
SCHEMBL29973699 0.82 KCNK9 (0.59) NPC1RAB9APAX8MEN1GAA
SCHEMBL1499527 0.81 KCNK9 (0.61) NPC1RAB9APAX8MEN1KMT2A
SCHEMBL29973955 0.81 KCNK9 (0.61) NPC1RAB9APAX8MEN1KMT2A
SCHEMBL1499251 0.80 MCHR1 (0.46) TRPV1MCHR1ABL1BCRNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160166519-A1 CHEMICAL MOLECULES THAT INHIBIT THE SLICING MECHANISM FOR TREATING DISEASES RESULTING FROM SPLICING ANOMALIES CT NATIONALE DE RECH SCIENT (FR) 2016-06-16 US disclosed
US-20160166519-A1 CHEMICAL MOLECULES THAT INHIBIT THE SLICING MECHANISM FOR TREATING DISEASES RESULTING FROM SPLICING ANOMALIES CT NATIONALE DE RECH SCIENT (FR) 2016-06-16 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-20160166519-A1 CHEMICAL MOLECULES THAT INHIBIT THE SLICING MECHANISM FOR TREATING DISEASES RESULTING FROM SPLICING ANOMALIES RBM17, RBM22, SF3B1 NPC1 769/4885RAB9A 3266/4885TRPV1 4703/4885

“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.