SCHEMBL2435669

SCHEMBL2435669

Oc1ccc(-c2ccc(F)cc2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.58
RXFP1 Q9HBX9 1/20 0.58
RAB9A P51151 2/20 0.53
ATM Q13315 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50
PTPN11 Q06124 1/20 0.50
KDM1A O60341 1/20 0.45
ALK Q9UM73 1/20 0.44
FYN P06241 1/20 0.43
MET P08581 5/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
AURKA O14965 1/20 0.43
ABL1 P00519 1/20 0.43
NTRK1 P04629 1/20 0.43

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
SCHEMBL29352397 1.00 NPC1 (0.58) NPC1RXFP1RAB9AATMMEN1
SCHEMBL12987394 0.88 NPC1 (0.53) NPC1RXFP1RAB9AATMMEN1
SCHEMBL8592351 0.79 MEN1 (0.53) NPC1RXFP1RAB9AATMMEN1
SCHEMBL18573277 0.79 MMP3 (0.56) MEN1KMT2AKDM1ACYP11B1CYP11B2
SCHEMBL2435624 0.79 MAPT (0.53) NPC1RAB9AATMMEN1KMT2A
SCHEMBL1765328 0.79 KIF11 (0.59) NPC1RAB9AKDM1ASMN1; SMN2TDO2
SCHEMBL851771 0.78 LDHA (0.57) MEN1KMT2ACYP11B1CYP11B2HSD17B1
SCHEMBL29392609 0.78 LDHA (0.57) MEN1KMT2ACYP11B1CYP11B2HSD17B1
SCHEMBL10717773 0.77 MAPK1 (0.55) NPC1RXFP1RAB9AATMMEN1
SCHEMBL28326772 0.77 CYP11B1 (0.44) NPC1RAB9AATMKDM1AFYN

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220387345-A1 ANTI-CANCER COMPOUNDS ACTING AS NON-PGP SUBSTRATE ASCENTAWITS PHARMACEUTICALS, LTD. (CN) 2022-12-08 US disclosed
US-20220185793-A1 COMPOUNDS FOR THE TREATMENT OF ONCOVIRUS INDUCED CANCER AND METHODS OF USE THEREOF CELLESTIA BIOTECH AG (CH) 2022-06-16 US disclosed
US-20220185793-A1 COMPOUNDS FOR THE TREATMENT OF ONCOVIRUS INDUCED CANCER AND METHODS OF USE THEREOF CELLESTIA BIOTECH AG (CH) 2022-06-16 US disclosed
US-20220169642-A1 COMPOUNDS FOR THE TREATMENT OF ONCOVIRUS INDUCED CANCER AND METHODS OF USE THEREOF CELLESTIA BIOTECH AG (CH) 2022-06-02 US disclosed
US-20220169642-A1 COMPOUNDS FOR THE TREATMENT OF ONCOVIRUS INDUCED CANCER AND METHODS OF USE THEREOF CELLESTIA BIOTECH AG (CH) 2022-06-02 US disclosed
US-20220119429-A1 FLUORINE-CONTAINING COMPOUND AND ANTI-CANCER MEDICAL USE THEREOF ASCENTAWITS PHARMACEUTICALS, LTD. (CN) 2022-04-21 US disclosed
EP-3953335-A1 INHIBITORS OF NOTCH SIGNALLING PATHWAY AND USE THEREOF IN TREATMENT OF CANCERS Cellestia Biotech AG (CH) 2022-02-16 EP disclosed
EP-3952997-A1 COMPOUNDS FOR THE TREATMENT OF ONCOVIRUS INDUCED CANCER AND METHODS OF USE THEREOF Cellestia Biotech AG (CH) 2022-02-16 EP disclosed
CN-114007696-A Compounds for treating oncovirus-induced cancer and methods of use thereof 塞莱斯蒂亚生物技术股份公司 2022-02-01 CN disclosed
CN-113966324-A NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2022-01-21 CN disclosed
CN-101208328-A Heteroaryl-substituted amides comprising a saturated linker group, and their use as pharmaceuticals SANOFI AVENTIS (FR) 2008-06-25 CN disclosed
US-20080108662-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG A 2008-05-08 US disclosed
US-7355049-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2008-04-08 US disclosed
EP-1899321-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-03-19 EP disclosed
EP-1663936-B1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
EP-1741709-A1 Heteroaryl-substituted amides comprising a saturated linker group, and their use as pharmaceuticals Sanofi-Aventis Deutschland GmbH (DE) 2007-01-10 EP disclosed
WO-2007000246-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-01-04 WO disclosed
CN-1812956-A Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN LA ROCHE (CH) 2006-08-02 CN disclosed
EP-0440771-A1 5-OXY-2-PHENYLAZINES AND MESOMORPHOUS MEDIUM MERCK PATENT GmbH (DE) 1991-08-14 EP disclosed
WO-1991002726-A1 5-OXY-2-PHENYLAZINES AND MESOMORPHOUS MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-03-07 WO 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 (5 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-20220169642-A1 COMPOUNDS FOR THE TREATMENT OF ONCOVIRUS INDUCED CANCER AND METHODS OF USE THEREOF NOTCH1, NOTCH4, NOTCH2 NPC1 1517/4885RXFP1 3663/4885RAB9A 1828/4885
US-20220119429-A1 FLUORINE-CONTAINING COMPOUND AND ANTI-CANCER MEDICAL USE THEREOF FLI1, FOLR2, FOLR1 NPC1 192/4885RXFP1 1478/4885RAB9A 384/4885
US-20080108662-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR GYS2, PYGL, GYS1 NPC1 1670/4885RXFP1 1569/4885RAB9A 4229/4885
US-20220185793-A1 COMPOUNDS FOR THE TREATMENT OF ONCOVIRUS INDUCED CANCER AND METHODS OF USE THEREOF TP53, HAVCR2, AQP1 NPC1 150/4885RXFP1 4288/4885RAB9A 398/4885
US-20220387345-A1 ANTI-CANCER COMPOUNDS ACTING AS NON-PGP SUBSTRATE ABCB1, ABCB11, IMPA1 NPC1 37/4885RXFP1 2410/4885RAB9A 2493/4885

“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.