SCHEMBL2494488

SCHEMBL2494488

COc1cc([N+](=O)[O-])c(F)cc1OCCOC1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 8/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4C Q9H3R0 1/20 0.35
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 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
SCHEMBL15509143 0.81 LMNA (0.46) NPC1RAB9AL3MBTL1ALDH1A1MAPT
SCHEMBL5460947 0.80 MEN1 (0.47) CHEK1NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL19532005 0.79 CHEK1 (0.38) CHEK1NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL19532014 0.78 ALDH1A1 (0.39) CHEK1NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL16851818 0.78 L3MBTL1 (0.41) NPC1RAB9AL3MBTL1ALDH1A1MEN1
SCHEMBL30029518 0.78 L3MBTL1 (0.41) NPC1RAB9AL3MBTL1ALDH1A1MEN1
SCHEMBL7567982 0.76 NPC1 (0.44) NPC1RAB9AL3MBTL1ALDH1A1MAPT
SCHEMBL19532011 0.76 ALDH1A1 (0.38) CHEK1NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL17675607 0.75 L3MBTL1 (0.41) NPC1RAB9AL3MBTL1MAPTMEN1
SCHEMBL19175107 0.75 KMT2A (0.51) NPC1RAB9AALDH1A1LMNAMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379543-A2 THIAZOLYL-BENZIMIDAZOLES F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
WO-2010121675-A2 THIAZOLYL-BENZIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 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-20100160308-A1 Thiazolyl-Benzimidazoles CYP3A7, CYP2C19, CYP3A5 CHEK1 2580/4885NPC1 257/4885RAB9A 3177/4885

“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.