SCHEMBL3588982

SCHEMBL3588982

CC(C)N(C(=O)n1c(=O)c(-c2ccccc2)nc2ccccc21)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ LMNA P02545 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ MCOLN3 Q8TDD5 1/20 0.48
▸ CFTR P13569 1/20 0.48
▸ KMT2A Q03164 3/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADORA2A P29274 1/20 0.42

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
SCHEMBL3587111 0.86 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDGAACFTR
SCHEMBL13502463 0.83 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL13502539 0.79 KDM4E (0.59) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL16596917 0.76 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL16596919 0.76 LMNA (0.52) ALDH1A1LMNAMAPTKMT2ANPSR1
SCHEMBL8219165 0.75 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDGAACFTR
SCHEMBL1965210 0.75 KDM4E (0.61) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL3580872 0.75 ALDH1A1 (0.54) ALDH1A1GAALMNAMAPTKMT2A
SCHEMBL16596922 0.75 LMNA (0.48) ALDH1A1LMNAMAPTKMT2ANPSR1
SCHEMBL17960610 0.74 LMNA (0.50) ALDH1A1KDM4ELMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061764-B1 HETEROCYCLIC DERIVATIVES BINDING TO THE PERIPHERAL-TYPE BENZODIAZEPINE RECEPTOR (PBR) TECHNION RES & DEV FOUNDATION (IL) 2014-07-02 — — EP disclosed
US-8541428-B2 Heterocyclic derivatives, pharmaceutical compositions and methods of use thereof TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2013-09-24 — — US disclosed
US-8541428-B2 Heterocyclic derivatives, pharmaceutical compositions and methods of use thereof TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2013-09-24 — — US disclosed
US-8541428-B2 Heterocyclic derivatives, pharmaceutical compositions and methods of use thereof TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2013-09-24 — — US disclosed
EP-2589597-A2 Heterocyclic derivatives binding to the peripheral-type benzodiazepine receptor (PBR) Technion Research & Development Foundation (IL) 2013-05-08 — — EP disclosed
EP-2589597-A2 Heterocyclic derivatives binding to the peripheral-type benzodiazepine receptor (PBR) Technion Research & Development Foundation (IL) 2013-05-08 — — EP disclosed
US-20100029658-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2010-02-04 — — US disclosed
US-20100029658-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2010-02-04 — — US disclosed
US-20100029658-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2010-02-04 — — US disclosed
EP-2061764-A1 HETEROCYCLIC DERIVATIVES BINDING TO THE PERIPHERAL-TYPE BENZODIAZEPINE RECEPTOR (PBR) Technion Research & Development Foundation LTD. (IL) 2009-05-27 — — EP disclosed
WO-2008023357-A1 HETEROCYCLIC DERIVATIVES BINDING TO THE PERIPHERAL-TYPE BENZODIAZEPINE RECEPTOR (PBR) TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2008-02-28 — — 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 (1 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-20100029658-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF NQO1, SIRT5, KEAP1 ALDH1A1 2459/4885KDM4E 1814/4885HPGD 103/4885

“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.

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