SCHEMBL12974

SCHEMBL12974

Cc1cccc(-c2nnc(C)o2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.73
SMN1; SMN2 Q16637 6/20 0.73
NPC1 O15118 6/20 0.73
RAB9A P51151 6/20 0.73
TSHR P16473 2/20 0.73
TP53 P04637 4/20 0.65
POLB P06746 3/20 0.65
ALDH1A1 P00352 1/20 0.65
HSD17B10 Q99714 1/20 0.65
KDM4E B2RXH2 2/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MAPT P10636 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NOTUM Q6P988 2/20 0.51

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
SCHEMBL24801833 0.91 NPC1 (0.67) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL11674120 0.90 SMN1; SMN2 (0.89) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL13882293 0.88 SMN1; SMN2 (0.85) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL11964433 0.86 NPC1 (0.59) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL16675211 0.86 SMN1; SMN2 (0.82) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL13143834 0.84 NPC1 (0.69) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL9341650 0.83 NPC1 (0.61) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL12634931 0.83 NPC1 (0.83) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL13393581 0.81 TRPM8 (0.60) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL1186494 0.81 GUSB (0.51) HPGDSMN1; SMN2NPC1RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3218375-B1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN GENENTECH INC (US) 2022-04-27 EP disclosed
EP-2861789-B1 FLAME RESISTANT SPUN STAPLE YARNS MADE FROM BLENDS OF FIBERS DERIVED FROM SULFONATED NAPHTHALENE POLYOXADIAZOLE POLYMERS DUPONT SAFETY & CONSTRUCTION INC (US) 2020-09-09 EP disclosed
US-10633350-B2 Diphenyl derivatives and uses thereof NOVARTIS AG (CH) 2020-04-28 US disclosed
US-20190077773-A1 DIPHENYL DERIVATIVES AND USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2019-03-14 US disclosed
EP-3299518-A1 FIBRE PAPER COMPRISING POD AND PREPARATION METHOD THEREFOR Jiangsu Pod New Material Co., Ltd (CN) 2018-03-28 EP disclosed
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-9732078-B2 Therapeutic use of imidazopyridine derivatives SANOFI (FR) 2017-08-15 US disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-9505749-B2 Quinazolinone compounds and derivatives thereof AMGEN INC. (US) 2016-11-29 US disclosed
US-9452164-B2 Imidazopyridine derivatives, process for preparation thereof and therapeutic use thereof SANOFI (FR) 2016-09-27 US disclosed
US-20080085992-A1 Polymers and fibers formed therefrom DUPONT SAFETY & CONSTRUCTION, INC. 2008-04-10 US disclosed
US-20080085992-A1 Polymers and fibers formed therefrom DUPONT SAFETY & CONSTRUCTION, INC. 2008-04-10 US disclosed
US-20080014440-A1 Polyoxadiazole composite fibers E. I. DU PONT DE NEMOURS AND COMPANY 2008-01-17 US disclosed
US-20080014440-A1 Polyoxadiazole composite fibers E. I. DU PONT DE NEMOURS AND COMPANY 2008-01-17 US disclosed
WO-2008008185-A2 POLYOXADIAZOLE COMPOSITE FIBERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-01-17 WO disclosed
US-20070065601-A1 Optical film, and polarizing plate and liquid crystal display device using the same FUJI PHOTO FILM CO., LTD. (JP) 2007-03-22 US disclosed
US-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists MERCK SHARP & DOHME LLC 2007-03-22 US disclosed
US-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof CURACYTE CHEMISTRY GMBH (DE) 2007-03-08 US disclosed
US-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof CURACYTE CHEMISTRY GMBH (DE) 2007-03-08 US disclosed
WO-2005090298-A1 SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2005-09-29 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-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 HPGD 2842/4885SMN1; SMN2 813/4885NPC1 2293/4885
US-20190077773-A1 DIPHENYL DERIVATIVES AND USES THEREOF MYOF, NGF, MUSK HPGD 696/4885SMN1; SMN2 7/4885NPC1 3175/4885
US-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof DNPEP, ANPEP, PEPD HPGD 644/4885SMN1; SMN2 1094/4885NPC1 3602/4885
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRPF3 HPGD 1603/4885SMN1; SMN2 1340/4885NPC1 1302/4885
US-10633350-B2 Diphenyl derivatives and uses thereof MYOF, NGF, MUSK HPGD 696/4885SMN1; SMN2 7/4885NPC1 3175/4885

“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.