SCHEMBL3786463

SCHEMBL3786463

CC(=O)Nc1cccc(-c2ccccc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.73
MGLL Q99685 1/20 0.72
HSD17B10 Q99714 2/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
NAPRT Q6XQN6 1/20 0.67
TSHR P16473 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
POLB P06746 3/20 0.61
MAPT P10636 2/20 0.61
TP53 P04637 1/20 0.61
CYP17A1 P05093 1/20 0.61
CYP11B1 P15538 1/20 0.61
CYP11B2 P19099 1/20 0.61
ALDH1A1 P00352 2/20 0.61
CYP1A2 P05177 1/20 0.61
HSD17B1 P14061 1/20 0.60
HSD17B2 P37059 1/20 0.60
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 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
SCHEMBL8577619 0.91 SMN1; SMN2 (0.70) NQO2MGLLHSD17B10NPC1RAB9A
Acetanilide SCHEMBL6693944 0.90 HSD17B10 (0.76) NQO2MGLLHSD17B10NPC1RAB9A
SCHEMBL1749196 0.88 MEN1 (0.59) NQO2MGLLNPC1RAB9ATSHR
Biphenyl SCHEMBL9009636 0.88 NAPRT (0.86) NQO2HSD17B10NPC1RAB9ANAPRT
SCHEMBL12999591 0.87 NPC1 (0.69) NQO2MGLLHSD17B10NPC1RAB9A
SCHEMBL10663620 0.86 CYP17A1 (0.76) NQO2MGLLHSD17B10NPC1RAB9A
SCHEMBL14384612 0.86 CNR1 (0.71) SMN1; SMN2CYP17A1CYP11B1CYP11B2HSD17B1
SCHEMBL4654909 0.86 ALDH1A1 (0.67) NQO2MGLLHSD17B10NPC1RAB9A
SCHEMBL969807 0.86 RAB9A (0.65) NQO2MGLLHSD17B10NPC1RAB9A
SCHEMBL694904 0.86 NQO2 (0.56) NQO2MGLLHSD17B10NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S.R.L. (IT) 2022-07-07 US disclosed
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S R L (IT) 2021-10-21 US disclosed
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
WO-2007130743-A2 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS ARRAY BIOPHARMA, INC. (US) 2007-11-15 WO disclosed
EP-1830858-A2 3, 6-BICYCLOLIDES Enanta Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
US-7223879-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-05-29 US disclosed
WO-2006063039-A2 3, 6-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed
WO-2003033671-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-24 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 (4 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 NQO2 2041/4885MGLL 1314/4885HSD17B10 1100/4885
US-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 NQO2 1172/4885MGLL 4654/4885HSD17B10 1152/4885
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 NQO2 1501/4885MGLL 3372/4885HSD17B10 1022/4885
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 NQO2 1172/4885MGLL 4654/4885HSD17B10 1152/4885

“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.