SCHEMBL1336095

SCHEMBL1336095

Clc1cccc(-c2c[nH]nn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.50
NOTUM Q6P988 4/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOB P27338 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MPI P34949 1/20 0.41
GFER P55789 1/20 0.41
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
KDR P35968 1/20 0.41
KMO O15229 1/20 0.41

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
SCHEMBL1646236 0.86 GP6 (0.37) IDO1RAB9AALDH1A1
SCHEMBL6163475 0.80 TSHR (0.35) IDO1TSHRSMN1; SMN2MAOBALDH1A1
SCHEMBL23457513 0.80 AHR (0.45) IDO1NOTUMNPC1NFKB1RAB9A
SCHEMBL29699397 0.80 AHR (0.45) IDO1NOTUMNPC1NFKB1RAB9A
SCHEMBL29699377 0.79 CYP2A6 (0.39) ALDH1A1PDGFRBKDRDYRK1A
SCHEMBL13896466 0.78 IDO1 (0.50) IDO1NOTUMTP53NFKB1NFKB2
SCHEMBL5613019 0.78 METAP2 (0.50) IDO1MAPK13
SCHEMBL917247 0.78 IDO1 (0.46) IDO1
SCHEMBL4831837 0.78 HSD17B1 (0.53) FYN
SCHEMBL4313886 0.78 METAP2 (0.50) NPC1TSHRRAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143578-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2005-06-30 US claimed
EP-1434772-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2005-05-04 EP claimed
US-20040192914-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-09-30 US claimed
EP-1434772-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-07-07 EP claimed
WO-2003031434-A1 COMPOUNDS AND METHODS SMITH KLINE BEECHAM CORPORATION (US) 2003-04-17 WO claimed
EP-0958287-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP claimed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO claimed
WO-2023122498-A1 ONE-STEP OXIDE BATH FOR IMPROVING ADHESION OF POLYMERIC MATERIALS TO METAL SUBSTRATES MACDERMID, INCORPORATED (US) 2023-06-29 WO disclosed
US-9550757-B2 Nuclear transport modulators and uses thereof Karyopharm Therapeutics Inc. (US) 2017-01-24 US disclosed
EP-2542089-B1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS INC (US) 2017-01-18 EP disclosed
US-20140155370-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF Karyopharm Therapeutics Inc. 2014-06-05 US disclosed
US-20140004071-A1 Thermochromic Dental Material BROWN WILLIAM STEVEN (US) 2014-01-02 US disclosed
US-8513230-B2 Nuclear transport modulators and uses thereof KARYOPHARM THERAPEUTICS, INC. (US) 2013-08-20 US disclosed
EP-0901040-A1 Substiantially light-insensitive thermographic recording material with improved stability and image-tone AGFA-GEVAERT N.V. (BE) 1999-03-10 EP disclosed
EP-0809142-A1 Production process for a thermographic recording material with improved stability and image-tone AGFA-GEVAERT N.V. (BE) 1997-11-26 EP disclosed
CN-1163189-A Lens in eye and its producing method HOYA CORP (JP) 1997-10-29 CN disclosed
US-5663034-A BLACK AND WHITE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-09-02 US disclosed
US-5063139-A Silver halide color photographic light-sensitive material capable of being processed at ultrahigh speed and process for the formation of color images using thereof FUJI PHOTO FILM CO., LTD. (JP) 1991-11-05 US disclosed
EP-0324391-A2 Method for the formation of high-contrast images KONICA CORPORATION (JP) 1989-07-19 EP disclosed
EP-0255721-A2 Silver halide emulsions and photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1988-02-10 EP 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 (3 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-20040192914-A1 Compounds and methods METAP2, METAP1, DNPEP IDO1 300/4885NOTUM 121/4885NPC1 3027/4885
US-20140155370-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPO1, NXF1, XPOT IDO1 2852/4885NOTUM 4789/4885NPC1 146/4885
US-20050143578-A1 Compounds and methods METAP2, METAP1, DNPEP IDO1 316/4885NOTUM 162/4885NPC1 3179/4885

“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.