SCHEMBL2154996

SCHEMBL2154996

O=C1Nc2ccc(F)cc2C12OCCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 1.00
MAPT P10636 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
POLB P06746 2/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 1/20 0.45
AKR1B1 P15121 5/20 0.44
AKR1B10 O60218 1/20 0.44
AKR1A1 P14550 1/20 0.44
ANPEP P15144 1/20 0.41
PGR P06401 1/20 0.40
LRRK2 Q5S007 1/20 0.40
PLK4 O00444 2/20 0.39
AURKB Q96GD4 2/20 0.39

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
SCHEMBL8273542 0.94 KMT2A (0.88) KMT2AMAPTCYP1A2CYP2C19POLB
SCHEMBL24270339 0.88 KMT2A (0.78) KMT2AMAPTCYP1A2CYP2C19POLB
SCHEMBL2780325 0.80 KMT2A (0.67) KMT2AMAPTCYP1A2CYP2C19POLB
SCHEMBL5314641 0.80 KMT2A (0.67) KMT2AMAPTCYP1A2CYP2C19POLB
SCHEMBL9097528 0.80 KMT2A (0.67) KMT2AMAPTCYP2C19POLBMEN1
SCHEMBL9097140 0.80 KMT2A (0.67) KMT2AMAPTCYP1A2CYP2C19POLB
SCHEMBL17950681 0.79 KMT2A (0.66) KMT2AMAPTCYP1A2CYP2C19POLB
SCHEMBL9098061 0.76 KMT2A (0.61) KMT2APOLBMEN1GAAMAPK1
SCHEMBL13196515 0.76 KMT2A (0.60) KMT2AMAPTCYP1A2CYP2C19POLB
SCHEMBL9053384 0.75 KMT2A (0.86) KMT2AMAPTPOLBMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3056207-B1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMA CO LTD (JP) 2018-06-20 EP disclosed
EP-3056207-B1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMA CO LTD (JP) 2018-06-20 EP disclosed
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
EP-2521549-B1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMA CO LTD (JP) 2016-08-17 EP disclosed
EP-3056207-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE Otsuka Pharmaceutical Co., Ltd. (JP) 2016-08-17 EP disclosed
EP-3056207-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE Otsuka Pharmaceutical Co., Ltd. (JP) 2016-08-17 EP 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
EP-2521549-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE Otsuka Pharmaceutical Co., Ltd. (JP) 2012-11-14 EP disclosed
WO-2011082337-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORP. (US) 2011-07-07 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 (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 KMT2A 1061/4885MAPT 519/4885CYP1A2 4552/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG KMT2A 1377/4885MAPT 417/4885CYP1A2 4619/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA KMT2A 1061/4885MAPT 519/4885CYP1A2 4552/4885

“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.