SCHEMBL17049552

SCHEMBL17049552

CC(C)NC(=O)Nc1ccc(F)cc1F

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.70
KMT2A Q03164 1/20 0.66
HSD17B10 Q99714 1/20 0.66
RECQL P46063 1/20 0.62
POLB P06746 3/20 0.59
RAB9A P51151 7/20 0.58
NPC1 O15118 6/20 0.58
HTT P42858 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
GAA P10253 2/20 0.55
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
TP53 P04637 1/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL24567587 0.87 PKM (0.67) PKMKMT2AHSD17B10RECQLPOLB
SCHEMBL12407115 0.85 PKM (0.52) PKMKMT2AHSD17B10RECQLPOLB
SCHEMBL27193044 0.84 RAB9A (0.77) PKMRECQLPOLBRAB9ANPC1
SCHEMBL27266163 0.83 NPC1 (0.64) PKMKMT2AHSD17B10RECQLPOLB
SCHEMBL12780368 0.83 RECQL (0.61) PKMKMT2AHSD17B10RECQLPOLB
SCHEMBL21141305 0.82 PKM (0.64) PKMKMT2AHSD17B10RECQLPOLB
SCHEMBL11426554 0.81 RAB9A (0.63) PKMKMT2AHSD17B10RECQLPOLB
SCHEMBL23136501 0.81 RECQL (0.68) PKMKMT2AHSD17B10RECQLPOLB
SCHEMBL17049551 0.79 SMN1; SMN2 (0.73) KMT2APOLBRAB9ANPC1HTT
SCHEMBL2711059 0.79 RECQL (0.57) PKMKMT2AHSD17B10RECQLPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230338373-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC 2023-10-26 US disclosed
US-9944633-B2 Compounds and methods for the treatment of isocitrate dehydrogenase related diseases THE BROAD INSTITUTE, INC. (US) 2018-04-17 US disclosed
US-9944633-B2 Compounds and methods for the treatment of isocitrate dehydrogenase related diseases THE BROAD INSTITUTE, INC. (US) 2018-04-17 US disclosed
US-20160102087-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF ISOCITRATE DEHYDROGENASE RELATED DISEASES PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-04-14 US disclosed
US-9120810-B2 Compounds and methods for the treatment of isocitrate dehydrogenase related diseases THE BOARD INSTITUTE, INC. (US) 2015-09-01 US disclosed
CN-1021819-C PROCESS FOR DIUREA DERIVATIVES USEFUL AS MEDICAMENTS YAMANOUCHI PHARMA CO LTD (JP) 1993-08-18 CN disclosed
CN-1034538-A As useful diurea derivatives of medicine and preparation method thereof YAMANOUCHI PHARMA CO LTD (JP) 1989-08-09 CN 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-20230338373-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) IDO1, IDO2, INMT PKM 2578/4885KMT2A 506/4885HSD17B10 753/4885
US-20160102087-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF ISOCITRATE DEHYDROGENASE RELATED DISEASES IDH1, IDH2, IDH3A PKM 924/4885KMT2A 1147/4885HSD17B10 31/4885

“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.