SCHEMBL12985114

SCHEMBL12985114

CCc1ccc(C=NO)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 3/20 0.47
MAPT P10636 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 2/20 0.42
PLK1 P53350 1/20 0.39
EGFR P00533 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.38
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL12763631 1.00 ALDH1A1 (0.53) ALDH1A1MAPK1RAB9ASMN1; SMN2NPC1
SCHEMBL14404015 1.00 ALDH1A1 (0.53) ALDH1A1MAPK1RAB9ASMN1; SMN2NPC1
SCHEMBL3971730 0.80 ALDH1A1 (0.53) ALDH1A1MAPK1RAB9ASMN1; SMN2NPC1
SCHEMBL14380270 0.79 ALDH1A1 (0.46) ALDH1A1MAPK1RAB9ASMN1; SMN2NPC1
SCHEMBL10130736 0.79 ALDH1A1 (0.46) ALDH1A1MAPK1RAB9ASMN1; SMN2NPC1
SCHEMBL158329 0.72
SCHEMBL13514040 0.72
SCHEMBL4209789 0.72
SCHEMBL1169563 0.72
SCHEMBL8882634 0.72

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
EP-2694488-B1 ISOXAZOLE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER (US) 2014-11-12 EP disclosed
US-8748466-B2 Isoxazole derivatives useful as antibacterial agents PFIZER INC. (US) 2014-06-10 US disclosed
EP-2694488-A1 ISOXAZOLE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc (US) 2014-02-12 EP disclosed
US-20140024690-A1 Isoxazole Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-01-23 US disclosed
WO-2012137094-A1 ISOXAZOLE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2012-10-11 WO 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-20140024690-A1 Isoxazole Derivatives Useful As Antibacterial Agents HAX1, PRXL2A, PRDX1 ALDH1A1 2868/4885MAPK1 3608/4885RAB9A 3690/4885

“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.