SCHEMBL16202971

SCHEMBL16202971

CSc1ccccc1N/C(C)=C\C(C)=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.65
▸ MAPT P10636 6/20 0.65
▸ GAA P10253 2/20 0.65
▸ KDM4E B2RXH2 1/20 0.65
▸ TDP1 Q9NUW8 1/20 0.65
▸ MEN1 O00255 6/20 0.54
▸ TP53 P04637 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ ALDH1A1 P00352 6/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HPGD P15428 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ ALOX15 P16050 1/20 0.47

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
SCHEMBL10137023 0.85 POLB (0.54) KMT2AMAPTGAAKDM4ETDP1
SCHEMBL13846427 0.84 MAPT (0.56) KMT2AMAPTGAAKDM4ETDP1
SCHEMBL13846441 0.84 TDP1 (0.59) KMT2AMAPTGAAKDM4ETDP1
SCHEMBL4938228 0.80 KMT2A (0.62) KMT2AMAPTMEN1TP53POLB
SCHEMBL29651063 0.80 KMT2A (0.62) KMT2AMAPTMEN1TP53POLB
SCHEMBL17885425 0.79 MAPT (0.69) KMT2AMAPTGAAKDM4ETDP1
SCHEMBL6857302 0.77 KMT2A (0.65) KMT2AMAPTGAAMEN1TP53
SCHEMBL15706718 0.77 MAPT (0.50) KMT2AMAPTGAAKDM4ETDP1
SCHEMBL17625618 0.76 KMT2A (0.41) KMT2AMAPTGAAKDM4ETDP1
SCHEMBL11569245 0.76 SMN1; SMN2 (0.43) KMT2AMAPTGAAKDM4ETDP1

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 KMT2A 2731/4885MAPT 4863/4885GAA 4753/4885

“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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