SCHEMBL16202569

SCHEMBL16202569

CSc1cc(C)ccc1/N=C(C)/C=C(/C)Nc1ccc(C)cc1SC

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ SIGMAR1 Q99720 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL17625618 0.79 KMT2A (0.41) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL17625220 0.76 SIGMAR1 (0.49) ALDH1A1KMT2AMAPTMEN1SIGMAR1
SCHEMBL17625219 0.75 SIGMAR1 (0.48) ALDH1A1KMT2AMAPTMEN1PKM
SCHEMBL16202782 0.70 SIGMAR1 (0.44) ALDH1A1KMT2AMAPTMEN1SIGMAR1
SCHEMBL28349002 0.70 MAPT (0.51) ALDH1A1KMT2AMAPTMEN1PKM
SCHEMBL17625617 0.67 MAPT (0.35) ALDH1A1KMT2AMAPTMEN1SIGMAR1
SCHEMBL19039519 0.66 MAPT (0.45) ALDH1A1KMT2AMAPTMEN1SIGMAR1
SCHEMBL17625616 0.64 SIGMAR1 (0.35) KMT2AMAPTMEN1SIGMAR1
SCHEMBL14337468 0.64 SIGMAR1 (0.64) ALDH1A1KMT2AMAPTMEN1SIGMAR1
SCHEMBL22025141 0.63 MAPT (0.42) ALDH1A1KMT2AMAPTMEN1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160087295-A1 Catalyst and Process for the Production of Hydrogen from Ammonia Boranes UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2016-03-24 — — US disclosed
US-20160087295-A1 Catalyst and Process for the Production of Hydrogen from Ammonia Boranes UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2016-03-24 — — US disclosed
WO-2014174465-A2 PROCESS NOVAUCD (IE) 2014-10-30 — — 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-20160087295-A1 Catalyst and Process for the Production of Hydrogen from Ammonia Boranes HRH4, NR1H3, NR1H2 ALDH1A1 3835/4885KMT2A 2731/4885MAPT 4863/4885

“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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