SCHEMBL21153218

SCHEMBL21153218

NCc1ccc(-c2nc(-c3ccc(OC4CCCC4)cc3)no2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.47
S1PR3 Q99500 4/20 0.47
TPH1 P17752 2/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
KCNH2 Q12809 2/20 0.42
MCHR1 Q99705 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
S1PR5 Q9H228 4/20 0.42
S1PR4 O95977 3/20 0.42
AOC3 Q16853 2/20 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
SCHEMBL21152961 0.88 S1PR1 (0.49) S1PR1S1PR3TPH1NPC1RAB9A
SCHEMBL19968516 0.87 S1PR1 (0.51) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL23987478 0.84 S1PR1 (0.48) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL19952957 0.83 S1PR1 (0.50) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL35210442 0.83 S1PR1 (0.50) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL21152963 0.82 S1PR1 (0.49) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL21152962 0.81 S1PR1 (0.47) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL21152964 0.80 EPHX2 (0.49) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL19952837 0.80 S1PR1 (0.45) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL508364 0.79 CSNK2A1 (0.56) ALDH1A1

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 5 patents. 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
US-11168062-B2 Compounds for the treatment of Clostridium difficile infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-11-09 US disclosed
US-20210340117-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-11-04 US disclosed
US-20210340116-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-11-04 US disclosed
US-20190210984-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2019-07-11 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 (5 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 S1PR1 3111/4885S1PR3 2606/4885TPH1 58/4885
US-20190210984-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION VNN1, NGLY1, NUCB2 S1PR1 3916/4885S1PR3 4424/4885TPH1 312/4885
US-11168062-B2 Compounds for the treatment of Clostridium difficile infection VNN1, NGLY1, NUCB2 S1PR1 3916/4885S1PR3 4424/4885TPH1 312/4885
US-20210340117-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION VNN1, NGLY1, NUCB2 S1PR1 3916/4885S1PR3 4424/4885TPH1 312/4885
US-20210340116-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION VNN1, NGLY1, NUCB2 S1PR1 3916/4885S1PR3 4424/4885TPH1 312/4885

“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.