SCHEMBL17068792

SCHEMBL17068792

COc1ccc(-c2nnc(SCCC(=O)O)o2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.65
RAB9A P51151 8/20 0.65
ALDH1A1 P00352 6/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
TP53 P04637 3/20 0.65
MAPT P10636 7/20 0.64
THRB P10828 1/20 0.61
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
HSP90AA1 P07900 1/20 0.61
TSHR P16473 1/20 0.61
LMNA P02545 1/20 0.60
HPGD P15428 1/20 0.60
HSD17B10 Q99714 2/20 0.59
KDM4E B2RXH2 1/20 0.59
MAPK1 P28482 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL17068755 0.87 NPC1 (0.65) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL17068799 0.85 MAPT (0.73) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL17068795 0.85 MAPT (0.73) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL17068793 0.84 MAPT (0.74) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL17068791 0.83 TP53 (0.69) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL17068796 0.81 GLA (0.72) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL17063588 0.81 SMN1; SMN2 (0.73) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL21447023 0.81 NPC1 (0.59) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL21447007 0.78 NPC1 (0.69) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL7020889 0.78 NPC1 (0.62) NPC1RAB9AALDH1A1SMN1; SMN2TP53

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-20150250769-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-09-10 US disclosed
US-20150250769-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-09-10 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-20150250769-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS RHOA, ARHGEF1, ARHGEF2 NPC1 954/4885RAB9A 309/4885ALDH1A1 4467/4885

“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.