SCHEMBL21152964

SCHEMBL21152964

O=C(O)c1ccc(-c2nc(-c3ccc(OC4CCCC4)cc3)no2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.49
S1PR1 P21453 3/20 0.48
S1PR3 Q99500 1/20 0.47
NR1H4 Q96RI1 2/20 0.47
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PARP10 Q53GL7 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
MAPT P10636 1/20 0.45
RARA P10276 1/20 0.45

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
SCHEMBL19952957 0.86 S1PR1 (0.50) S1PR1S1PR3NR1H4LMNAALDH1A1
SCHEMBL35210442 0.86 S1PR1 (0.50) S1PR1S1PR3NR1H4LMNAALDH1A1
SCHEMBL21152963 0.85 S1PR1 (0.49) S1PR1S1PR3NR1H4NPC1RAB9A
SCHEMBL19968516 0.84 S1PR1 (0.51) S1PR1S1PR3NR1H4ALDH1A1NPC1
SCHEMBL21152962 0.83 S1PR1 (0.47) S1PR1S1PR3NR1H4NPC1RAB9A
SCHEMBL21152961 0.82 S1PR1 (0.49) S1PR1S1PR3NR1H4ALDH1A1NPC1
SCHEMBL23987478 0.82 S1PR1 (0.48) S1PR1S1PR3NR1H4ALDH1A1NPC1
SCHEMBL4739779 0.81 S1PR1 (0.46) S1PR1S1PR3NR1H4ALDH1A1NPC1
SCHEMBL1028676 0.81 EPHX2 (0.68) EPHX2LMNAALDH1A1NPC1RAB9A
SCHEMBL30850675 0.81 MAPT (0.60) S1PR1S1PR3LMNAALDH1A1NPC1

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-20210340116-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-11-04 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-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 EPHX2 429/4885S1PR1 3111/4885S1PR3 2606/4885
US-20190210984-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION VNN1, NGLY1, NUCB2 EPHX2 2780/4885S1PR1 3916/4885S1PR3 4424/4885
US-11168062-B2 Compounds for the treatment of Clostridium difficile infection VNN1, NGLY1, NUCB2 EPHX2 2780/4885S1PR1 3916/4885S1PR3 4424/4885
US-20210340117-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION VNN1, NGLY1, NUCB2 EPHX2 2780/4885S1PR1 3916/4885S1PR3 4424/4885
US-20210340116-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION VNN1, NGLY1, NUCB2 EPHX2 2780/4885S1PR1 3916/4885S1PR3 4424/4885

“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.