SCHEMBL35210427

SCHEMBL35210427

Nc1nc(-c2ccc(OC3CCCC3)cc2)no1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
S1PR1 P21453 2/20 0.47
S1PR3 Q99500 1/20 0.47
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BTK Q06187 1/20 0.42
PARP10 Q53GL7 1/20 0.42
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TNK2 Q07912 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL19968516 0.86 S1PR1 (0.51) S1PR1S1PR3NPC1RAB9AALDH1A1
SCHEMBL35210458 0.84 S1PR1 (0.45) S1PR1S1PR3NPC1RAB9ALMNA
SCHEMBL23987478 0.83 S1PR1 (0.48) S1PR1S1PR3NPC1RAB9AALDH1A1
SCHEMBL30850604 0.80 S1PR1 (0.46) S1PR1S1PR3NPC1RAB9ACYP1A2
SCHEMBL19952957 0.79 S1PR1 (0.50) S1PR1S1PR3NPC1RAB9ALMNA
SCHEMBL35210442 0.79 S1PR1 (0.50) S1PR1S1PR3NPC1RAB9ALMNA
SCHEMBL21153218 0.79 S1PR1 (0.47) S1PR1S1PR3NPC1RAB9ALMNA
SCHEMBL21152963 0.78 S1PR1 (0.49) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL30850675 0.77 MAPT (0.60) S1PR1S1PR3NPC1RAB9ALMNA
SCHEMBL21152962 0.76 S1PR1 (0.47) S1PR1S1PR3NPC1RAB9ASMN1; 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-20260125371-A1 METHOD FOR INHIBITING CLOSTRIDIOIDES DIFFICILE SPORE GERMINATION UNIVERSITY OF NOTRE DAME DU LAC (US) 2026-05-07 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-20260125371-A1 METHOD FOR INHIBITING CLOSTRIDIOIDES DIFFICILE SPORE GERMINATION CYP8B1, SPOUT1, O60361 NOTUM 1812/4885S1PR1 3111/4885S1PR3 2606/4885

“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.