SCHEMBL14726285

SCHEMBL14726285

Nc1cc(-c2cccc(Cl)c2Cl)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.51
NUDT1 P36639 4/20 0.47
NOTUM Q6P988 1/20 0.44
HSD17B10 Q99714 2/20 0.44
GAA P10253 2/20 0.44
NPC1 O15118 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALPL P05186 3/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALOX15 P16050 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
ALOX12 P18054 1/20 0.43
CYP2D6 P10635 1/20 0.41
MAOA P21397 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
SCHEMBL3499089 0.86 ALPL (0.57) IDO1NOTUMHSD17B10GAANPC1
SCHEMBL31324688 0.86 ALPL (0.57) IDO1NOTUMHSD17B10GAANPC1
SCHEMBL1857982 0.83 IDO1 (0.54) IDO1NUDT1HSD17B10GAANPC1
SCHEMBL3340666 0.80 CHEK1 (0.43) HSD17B10GAAALPLMEN1MAPT
SCHEMBL29118087 0.79 IDO1 (0.51) IDO1NUDT1NOTUMHSD17B10GAA
SCHEMBL5271661 0.79 NPC1 (0.60) IDO1NUDT1NOTUMHSD17B10GAA
SCHEMBL27955915 0.76 ALOX15 (0.59) IDO1NUDT1NOTUMHSD17B10NPC1
SCHEMBL10682654 0.74 ALPL (0.58) ALPLKMT2AMAPK1
Hydrochloric Acid SCHEMBL15191228 0.72 ALPL (0.56) ALPLKMT2AMAPK1
SCHEMBL5261707 0.72 HDAC3 (0.45) HSD17B10GAANPC1KDM4EALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-9630947-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-25 US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-9073890-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US 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-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA IDO1 3129/4885NUDT1 2985/4885NOTUM 2328/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG IDO1 3590/4885NUDT1 4155/4885NOTUM 2585/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA IDO1 3129/4885NUDT1 2985/4885NOTUM 2328/4885

“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.