SCHEMBL425419

SCHEMBL425419

COc1cccc(-c2cn(C(=O)N3CCCc4ccccc43)cn2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.59
TSHR P16473 8/20 0.59
MAPT P10636 7/20 0.59
TP53 P04637 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HPGD P15428 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALOX15 P16050 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 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
SCHEMBL424291 0.86 RECQL (0.55) ALDH1A1TSHRMAPTSMN1; SMN2NPSR1
SCHEMBL425435 0.85 SMN1; SMN2 (0.47) ALDH1A1TSHRMAPTSMN1; SMN2NPSR1
SCHEMBL424298 0.80 ALDH1A1 (0.55) ALDH1A1MAPTSMN1; SMN2MAPK1L3MBTL1
SCHEMBL29598280 0.77 ALDH1A1 (0.67) ALDH1A1TSHRMAPTTP53SMN1; SMN2
SCHEMBL24499921 0.77 ALDH1A1 (0.67) ALDH1A1TSHRMAPTTP53SMN1; SMN2
SCHEMBL29597191 0.76 TSHR (0.70) ALDH1A1TSHRMAPTTP53SMN1; SMN2
SCHEMBL24499925 0.76 TSHR (0.70) ALDH1A1TSHRMAPTTP53SMN1; SMN2
SCHEMBL16433071 0.74 STIM1 (0.48) ALDH1A1MAPTTP53SMN1; SMN2HPGD
SCHEMBL14946883 0.72 ALDH1A1 (0.50) ALDH1A1TSHRMAPTTP53SMN1; SMN2
SCHEMBL14938203 0.71 TSHR (0.44) ALDH1A1TSHRMAPTTP53SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 ALDH1A1 294/4885TSHR 2673/4885MAPT 1705/4885

“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.