SCHEMBL5462183

SCHEMBL5462183

COC(=O)c1ccsc1NC(=O)COc1ccc(I)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
MAPT P10636 4/20 0.56
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPK10 P53779 2/20 0.56
HSD17B10 Q99714 2/20 0.56
TP53 P04637 1/20 0.56
MAPK1 P28482 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 2/20 0.50
PKM P14618 2/20 0.50
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
POLB P06746 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
SCHEMBL5301897 0.87 NPC1 (0.56) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL5065123 0.85 NPC1 (0.64) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL34468530 0.80 MAPT (0.59) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL3552433 0.79 ALDH1A1 (0.54) NPC1RAB9AMAPTALDH1A1MAPK10
SCHEMBL5696432 0.78 ALDH1A1 (0.80) NPC1RAB9AMAPTALDH1A1MAPK10
SCHEMBL13789666 0.75 KMT2A (0.63) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL4753012 0.75 KMT2A (0.63) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL7930548 0.75 KMT2A (0.63) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL20083918 0.74 KMT2A (0.61) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL5061073 0.73 NPC1 (0.68) NPC1RAB9AMAPTALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070072873-A1 Novel thiophene derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. 2007-03-29 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-20070072873-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 NPC1 1082/4885RAB9A 813/4885MAPT 4815/4885

“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.