SCHEMBL9901402

SCHEMBL9901402

Cc1ncc(C=NO)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
HTT P42858 5/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
ACHE P22303 3/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.34
APAF1 O14727 1/20 0.34
HSP90AA1 P07900 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL9901401 1.00 NPC1 (0.46) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL20544102 0.76 NPC1 (0.39) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL27503360 0.76 ALDH1A1 (0.40) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2358163 0.76 NPC1 (0.54) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2358162 0.76 NPC1 (0.54) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL30592880 0.71 NPC1 (0.40) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL22056621 0.71 ALDH1A1 (0.47) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL20241231 0.71 NPC1 (0.40) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL20241230 0.71 NPC1 (0.40) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL26654238 0.71 NPC1 (0.40) NPC1RAB9AKMT2AMEN1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3216798-A2 KETOLIDE COMPOUNDS Wockhardt Limited (IN) 2017-09-13 EP disclosed
EP-2673285-B1 KETOLIDE COMPOUNDS WOCKHARDT LTD (IN) 2017-07-19 EP disclosed
US-20160083412-A1 KETOLIDE COMPOUNDS WOCKHARDT LIMITED (IN) 2016-03-24 US disclosed
US-9175031-B2 Ketolide compounds WOCKHARDT LIMITED (IN) 2015-11-03 US disclosed
US-20140005133-A1 KETOLIDE COMPOUNDS WOCKHARDT LIMITED (IN) 2014-01-02 US disclosed
EP-2673285-A1 KETOLIDE COMPOUNDS Wockhardt Limited (IN) 2013-12-18 EP disclosed
WO-2012076989-A1 KETOLIDE COMPOUNDS WOCKHARDT LIMITED (IN) 2012-06-14 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 (2 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-20160083412-A1 KETOLIDE COMPOUNDS AKR1C3, AKR1D1, AKR1C1 NPC1 452/4885RAB9A 891/4885KMT2A 1289/4885
US-20140005133-A1 KETOLIDE COMPOUNDS AKR1C3, AKR1D1, AKR1C1 NPC1 458/4885RAB9A 1143/4885KMT2A 1223/4885

“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.