SCHEMBL286133

SCHEMBL286133

CON(C)C(=O)c1ccc(C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.51
NSD2 O96028 1/20 0.50
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
PARP15 Q460N3 1/20 0.45
PARP10 Q53GL7 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
GSK3B P49841 2/20 0.44
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 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
SCHEMBL13479810 0.83 NSD2 (0.48) MLYCDNSD2CA1CA2ALDH1A1
SCHEMBL10777010 0.82 CA1 (0.48) MLYCDNSD2CA1CA2ALDH1A1
SCHEMBL10933810 0.81 NSD2 (0.55) MLYCDNSD2CA1CA2ALDH1A1
SCHEMBL310054 0.80 GSK3B (0.50) ALDH1A1GSK3BPOLBTSHR
SCHEMBL13151106 0.79 NSD2 (0.54) MLYCDNSD2CA1CA2ALDH1A1
SCHEMBL1011694 0.79 PIK3CA (0.42) MLYCDNSD2CA1CA2
SCHEMBL1303906 0.77 MLYCD (0.57) MLYCDCA1CA2ALDH1A1MAPT
SCHEMBL22531823 0.77 MLYCD (0.57) MLYCDCA1CA2ALDH1A1POLB
SCHEMBL870352 0.77 MLYCD (0.57) MLYCDALDH1A1MAPTGSK3BKMT2A
SCHEMBL1012521 0.77 MLYCD (0.57) MLYCDALDH1A1MAPTPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10391093-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-08-27 US disclosed
US-10391093-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-08-27 US disclosed
EP-3057422-B1 QUINOLINYL MODULATORS OF ROR(GAMMA)T JANSSEN PHARMACEUTICA NV (BE) 2019-05-15 EP disclosed
US-10201546-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2019-02-12 US disclosed
US-10201546-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2019-02-12 US disclosed
EP-2297133-B1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS FORUM PHARMACEUTICALS INC (US) 2017-09-13 EP disclosed
EP-2297133-B1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS FORUM PHARMACEUTICALS INC (US) 2017-09-13 EP disclosed
US-20170182046-A1 THERAPEUTIC COMPOUNDS Arizona Board of Regents, a body Corporate of the State of Arizona, Acting for and on Behalf of Ariz (US) 2017-06-29 US disclosed
US-20170182046-A1 THERAPEUTIC COMPOUNDS Arizona Board of Regents, a body Corporate of the State of Arizona, Acting for and on Behalf of Ariz (US) 2017-06-29 US disclosed
US-20170182046-A1 THERAPEUTIC COMPOUNDS Arizona Board of Regents, a body Corporate of the State of Arizona, Acting for and on Behalf of Ariz (US) 2017-06-29 US disclosed
US-20100292238-A1 Phenoxymethyl Heterocyclic Compounds FMR LLC 2010-11-18 US disclosed
WO-2010128995-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2010-11-11 WO disclosed
WO-2010128995-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2010-11-11 WO disclosed
US-20100204493-A1 Process for the Preparation of Escitalopram CIPLA LIMITED (IN) 2010-08-12 US disclosed
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. (US) 2010-06-03 US disclosed
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. (US) 2010-06-03 US disclosed
WO-2009158393-A1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2009-12-30 WO disclosed
WO-2009158393-A1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2009-12-30 WO disclosed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
WO-2008142379-A2 PROCESS FOR THE PREPARATION OF ESCITALOPRAM VIA DESMETHYLCITALOPRAM, OPTICAL RESOLUTION AND METHYLATION OF THE S-ISOMER CIPLA LIMITED (IN) 2008-11-27 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 (7 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-10391093-B2 Therapeutic compounds PSEN1, PSEN2, MAPT MLYCD 3024/4885NSD2 2466/4885CA1 157/4885
US-20170182046-A1 THERAPEUTIC COMPOUNDS PSEN1, PSEN2, MAPT MLYCD 3024/4885NSD2 2466/4885CA1 157/4885
US-20100292238-A1 Phenoxymethyl Heterocyclic Compounds PDE3A, PDE2A, PDE5A MLYCD 1531/4885NSD2 2953/4885CA1 1632/4885
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AGTR1, AGTR2, AHR MLYCD 3220/4885NSD2 1088/4885CA1 4525/4885
US-10201546-B2 Quinolinyl modulators of RORγt RORC, RORB, RORA MLYCD 4743/4885NSD2 2614/4885CA1 3821/4885
US-20100204493-A1 Process for the Preparation of Escitalopram SLC6A4, SLC6A3, HTR3B MLYCD 2551/4885NSD2 1727/4885CA1 3989/4885
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds PDE12, PDE7A, PDE10A MLYCD 1547/4885NSD2 2965/4885CA1 1758/4885

“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.