SCHEMBL11426554

SCHEMBL11426554

CNC(=O)Nc1ccc(F)cc1F

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.63
NPC1 O15118 5/20 0.63
HTT P42858 5/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
PKM P14618 2/20 0.62
GAA P10253 2/20 0.59
RECQL P46063 1/20 0.59
LMNA P02545 2/20 0.57
MAPT P10636 2/20 0.57
POLB P06746 1/20 0.56
TP53 P04637 1/20 0.56
KDM4E B2RXH2 1/20 0.56
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CYP2C19 P33261 1/20 0.54

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
SCHEMBL27193044 0.88 RAB9A (0.77) RAB9ANPC1HTTSMN1; SMN2PKM
SCHEMBL11406833 0.84 ALDH1A1 (0.54) RAB9ANPC1HTTSMN1; SMN2PKM
SCHEMBL11436787 0.84 SMN1; SMN2 (0.50) RAB9ANPC1HTTSMN1; SMN2PKM
SCHEMBL8473685 0.82 PYGL (0.53) SMN1; SMN2RECQLPOLBKMT2AALDH1A1
SCHEMBL11435364 0.82 KMT2A (0.58) RAB9ANPC1HTTSMN1; SMN2PKM
SCHEMBL625996 0.82 SMN1; SMN2 (0.48) RAB9ANPC1HTTSMN1; SMN2PKM
SCHEMBL9004635 0.81 RAB9A (0.63) RAB9ANPC1HTTSMN1; SMN2PKM
SCHEMBL30148008 0.81 SMN1; SMN2 (0.67) RAB9ANPC1HTTSMN1; SMN2PKM
SCHEMBL6694651 0.81 SMN1; SMN2 (0.67) RAB9ANPC1HTTSMN1; SMN2PKM
SCHEMBL11422683 0.81 PKM (0.66) RAB9ANPC1HTTSMN1; SMN2PKM

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-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
WO-2017139414-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO INC. (KY) 2017-08-17 WO 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-1138580-A 1-(3-heterocyclylphenyl)-S-triazine-2,4,6-oxo or thiotrione herbicidal agents AMERICAN CYANAMID CO (US) 1996-12-25 CN 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
US-4183956-A Method for treating gastrointestinal spasms, gastrointestinal hyperacidity and hypertensive disorders with amidinoureas WILLIAM H. RORER, INC. (US) 1980-01-15 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-20230338373-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) IDO1, IDO2, INMT RAB9A 2742/4885NPC1 2520/4885HTT 2156/4885
US-20160102087-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF ISOCITRATE DEHYDROGENASE RELATED DISEASES IDH1, IDH2, IDH3A RAB9A 3444/4885NPC1 515/4885HTT 888/4885

“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.