SCHEMBL16202782

SCHEMBL16202782

CSc1ccccc1N/C(C)=C\C(C)=N\c1c(C)cccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.44
▸ GRIN2D O15399 2/20 0.44
▸ GRIN3B O60391 2/20 0.44
▸ GRIN1 Q05586 2/20 0.44
▸ GRIN2A Q12879 2/20 0.44
▸ GRIN2B Q13224 2/20 0.44
▸ GRIN2C Q14957 2/20 0.44
▸ GRIN3A Q8TCU5 2/20 0.44
▸ MAPT P10636 6/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ ALDH1A1 P00352 7/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KMT2A Q03164 5/20 0.39
▸ TP53 P04637 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ POLB P06746 2/20 0.36
▸ RAB9A P51151 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
SCHEMBL17625220 0.86 SIGMAR1 (0.49) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17625219 0.83 SIGMAR1 (0.48) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17625618 0.82 KMT2A (0.41) MAPTTDP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL5892472 0.78 GRIN2D (0.56) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16202783 0.77 LMNA (0.41) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16202971 0.73 KMT2A (0.65) MAPTL3MBTL1TDP1ALDH1A1SMN1; SMN2
SCHEMBL14337468 0.73 SIGMAR1 (0.64) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16202569 0.70 ALDH1A1 (0.37) SIGMAR1MAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL17875362 0.70 GRIN2D (0.41) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10137023 0.70 POLB (0.54) MAPTL3MBTL1TDP1ALDH1A1SMN1; SMN2

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 SIGMAR1 128/4885GRIN2D 958/4885GRIN3B 825/4885

“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.

Send feedback