SCHEMBL15099490

SCHEMBL15099490

Cc1ccc(-c2cc(C(=O)NC3CC3)no2)cc1

nearest known ligand 0.90

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.90
RAB9A P51151 10/20 0.90
KMT2A Q03164 3/20 0.88
S1PR1 P21453 2/20 0.88
MEN1 O00255 2/20 0.88
MLLT1 Q03111 5/20 0.70
TDP1 Q9NUW8 1/20 0.68
TRPV1 Q8NER1 1/20 0.64
LMNA P02545 1/20 0.60
ALDH1A1 P00352 1/20 0.60
TP53 P04637 1/20 0.60
HPGD P15428 1/20 0.60
ATM Q13315 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MLLT3 P42568 2/20 0.59

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
SCHEMBL11931686 0.95 NPC1 (1.00) NPC1RAB9AKMT2AS1PR1MEN1
SCHEMBL14160551 0.85 TRPV1 (0.70) NPC1RAB9AKMT2AS1PR1MEN1
SCHEMBL9911606 0.83 KMT2A (0.66) NPC1RAB9AKMT2AS1PR1MEN1
SCHEMBL18618367 0.82 MLLT1 (0.95) NPC1RAB9AKMT2AS1PR1MEN1
SCHEMBL16373728 0.81 NPC1 (0.81) NPC1RAB9AKMT2AS1PR1MEN1
SCHEMBL17661429 0.81 NPC1 (1.00) NPC1RAB9AKMT2AS1PR1MEN1
SCHEMBL11931680 0.81 NPC1 (1.00) NPC1RAB9AKMT2AS1PR1MEN1
SCHEMBL17933816 0.81 NPC1 (0.95) NPC1RAB9AKMT2AS1PR1MEN1
SCHEMBL15498768 0.80 LMNA (0.66) NPC1RAB9AKMT2AS1PR1MEN1
SCHEMBL13902147 0.80 S1PR1 (1.00) NPC1RAB9AKMT2AS1PR1MEN1

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
WO-2021183937-A1 SUBSTITUTED ISOXAZOLES AS SELECTIVE NAV1.7 INHIBITORS FOR PAIN TREATMENT AND METHOD OF PAIN TREATMENT BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-09-16 WO disclosed
US-9221800-B2 Isoxazole treatments for diabetes THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-12-29 US disclosed
US-20140315966-A1 Isoxazole Treatments for Diabetes THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-10-23 US disclosed
US-8722716-B2 Isoxazole treatments for diabetes THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-05-13 US disclosed
US-20130178506-A1 ISOXAZOLE TREATMENTS FOR DIABETES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-07-11 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 (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-20130178506-A1 ISOXAZOLE TREATMENTS FOR DIABETES IAPP, GPR119, INSR NPC1 3557/4885RAB9A 4073/4885KMT2A 4572/4885
US-20140315966-A1 Isoxazole Treatments for Diabetes IAPP, GPR119, INSR NPC1 3557/4885RAB9A 4073/4885KMT2A 4572/4885

“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.