SCHEMBL14726281

SCHEMBL14726281

Nc1cc(-c2ccc(F)c(Cl)c2)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.44
NISCH Q9Y2I1 1/20 0.43
KMO O15229 2/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
PGR P06401 4/20 0.40
EPHB4 P54760 1/20 0.40
NR3C1 P04150 1/20 0.40
NR3C2 P08235 1/20 0.40
AR P10275 1/20 0.40
TDP2 O95551 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
PIK3CA P42336 1/20 0.38

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
SCHEMBL14726272 0.87 KMO (0.42) KMOLMNAHPGDTP53MAPT
SCHEMBL15656631 0.84 NOTUM (0.44) KMOIDO1TDO2LMNAMAPT
SCHEMBL14731247 0.84 HPGD (0.54) KMOIDO1LMNAHPGDMAPT
SCHEMBL474802 0.80 ALPL (0.54) LMNAHPGDTP53MAPT
SCHEMBL14910869 0.78 MPL (0.56) KMOAR
SCHEMBL244618 0.77 ALPL (0.54) TP53MAPT
SCHEMBL29706633 0.77 NPC1 (0.41) IDO1MAPT
SCHEMBL14910322 0.76 NOTUM (0.58)
SCHEMBL18179682 0.76 LMNA (0.50) CASP1NISCHKMOERCC1ERCC4
SCHEMBL10238578 0.76 MAPT (0.46) KMOADORA2AADORA1MAPT

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 CASP1 4202/4885NISCH 3781/4885KMO 1420/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG CASP1 3933/4885NISCH 3903/4885KMO 1911/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CASP1 4202/4885NISCH 3781/4885KMO 1420/4885

“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.