SCHEMBL257289

SCHEMBL257289

O=C(O)c1ccc2nsnc2c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.60
RAB9A P51151 14/20 0.60
MAPT P10636 6/20 0.60
ALDH1A1 P00352 4/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
HPGD P15428 2/20 0.60
POLB P06746 1/20 0.60
TDP1 Q9NUW8 2/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
KDM4E B2RXH2 4/20 0.53
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.49
LMNA P02545 1/20 0.48
PTPN11 Q06124 1/20 0.47

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
SCHEMBL13692376 0.82 KDM4E (0.61) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL3275920 0.82 NPC1 (0.54) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL1020666 0.82 NPC1 (0.55) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL1681173 0.77 MAPT (0.62) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL29069425 0.77 NPC1 (0.62) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL13689270 0.77 NPC1 (0.50) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL15069589 0.77 NPC1 (0.50) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL12188696 0.77 MEN1 (0.55) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL21723107 0.76 TDP1 (0.77) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL5696651 0.76 TDP1 (0.77) NPC1RAB9AMAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US claimed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP claimed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 US claimed
EP-1926731-A2 AMINO-AZA-ADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-04 EP claimed
WO-2007038058-A2 AMINO-AZA-ADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-04-05 WO claimed
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use ABBOTT LABORATORIES 2007-03-29 US claimed
US-7030112-B2 Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-18 US claimed
US-20250313574-A1 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2025-10-09 US disclosed
US-20250261553-A1 NOVEL COMPOUND, CONJUGATED POLYMER AND METHOD FOR PRODUCING SAME, FILM FORMATION COMPOSITION, ORGANIC THIN FILM AND ORGANIC SEMICONDUCTOR ELEMENT TOSOH CORPORATION (JP) 2025-08-14 US disclosed
WO-2025089261-A1 ORGANIC TRANSISTOR 東ソー株式会社 2025-05-01 WO disclosed
EP-4536653-A2 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME Eisai R&D Management Co., Ltd. (JP) 2025-04-16 EP disclosed
WO-2025076284-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME DELPHIA THERAPEUTICS, INC. (US) 2025-04-10 WO disclosed
EP-4516794-A1 NOVEL COMPOUND, CONJUGATED POLYMER AND METHOD FOR PRODUCING SAME, FILM FORMATION COMPOSITION, ORGANIC THIN FILM, AND ORGANIC SEMICONDUCTOR ELEMENT Tosoh Corporation (JP) 2025-03-05 EP disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
US-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2004-12-09 US disclosed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 US disclosed
EP-1439169-A1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-07-21 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 WO disclosed
EP-1399443-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-24 EP disclosed
WO-2003087098-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 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 (6 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-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials NRDC, NUCB2, NDC1 NPC1 1026/4885RAB9A 3249/4885MAPT 4478/4885
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use CHRNA7, CHRNA5, CHRNA1 NPC1 1243/4885RAB9A 908/4885MAPT 2851/4885
US-20250313574-A1 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME NEU1, NEU2, NEU4 NPC1 132/4885RAB9A 967/4885MAPT 258/4885
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R NPC1 112/4885RAB9A 905/4885MAPT 2278/4885
US-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor DDT, WEE1, NOTUM NPC1 2528/4885RAB9A 838/4885MAPT 4388/4885
US-20250261553-A1 NOVEL COMPOUND, CONJUGATED POLYMER AND METHOD FOR PRODUCING SAME, FILM FORMATION COMPOSITION, ORGANIC THIN FILM AND ORGANIC SEMICONDUCTOR ELEMENT CD99, SOAT2, SOAT1 NPC1 1017/4885RAB9A 1212/4885MAPT 402/4885

“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.