SCHEMBL17625618

SCHEMBL17625618

CSc1ccccc1/N=C(C)/C=C(/C)Nc1ccccc1SC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ ALDH1A1 P00352 6/20 0.39
▸ POLB P06746 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MAPT P10636 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ TP53 P04637 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.36

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
SCHEMBL17625219 0.92 SIGMAR1 (0.48) KMT2AMEN1ALDH1A1RAB9AMAPT
SCHEMBL17625220 0.90 SIGMAR1 (0.49) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL16202783 0.83 LMNA (0.41) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL17625617 0.83 MAPT (0.35) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL16202782 0.82 SIGMAR1 (0.44) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL17625616 0.80 SIGMAR1 (0.35) KMT2AMEN1MAPTKDM4EGAA
SCHEMBL16202569 0.79 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL16202971 0.76 KMT2A (0.65) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL14337468 0.76 SIGMAR1 (0.64) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL10137023 0.73 POLB (0.54) KMT2AMEN1ALDH1A1POLBRAB9A

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 1 patent. 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

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 2731/4885MEN1 2736/4885ALDH1A1 3835/4885

“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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