SCHEMBL19196286

SCHEMBL19196286

c1ccc(-c2cccc(-c3csc(-c4cccc5c4OCCO5)n3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
EIF4E P06730 1/20 0.44
ALDH1A1 P00352 7/20 0.43
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 2/20 0.43
HIF1A Q16665 1/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
ALOX12 P18054 1/20 0.42
SREBF2 Q12772 1/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL17348286 0.89 STIM1 (0.55) RAB9ANPC1EIF4EALDH1A1SMN1; SMN2
SCHEMBL19195873 0.82 ALDH1A1 (0.40) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL19195912 0.76 SMN1; SMN2 (0.66) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL19196708 0.76 KMT2A (0.52) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8714623 0.73 ITGB2 (0.50) ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL2896414 0.72 MAPT (0.51) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL19195871 0.72 SREBF2 (0.79) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL19196281 0.72 SREBF2 (0.60) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL19195907 0.72 SREBF2 (0.79) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL17336635 0.71 NPC1 (0.60) RAB9ANPC1EIF4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969726-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMS) and uses thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-05-15 US disclosed
US-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-08-03 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-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof GRM3, GRM2, GRM1 RAB9A 2314/4885NPC1 2618/4885EIF4E 3617/4885

“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.