SCHEMBL12787456

SCHEMBL12787456

Cc1nn2c(-c3ccc(Cl)cc3Cl)coc2c1C1OC(C)O1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.39
▸ HSD11B1 P28845 2/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CRHR1 P34998 8/20 0.34
▸ DPP4 P27487 5/20 0.33
▸ MARS1 P56192 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ EGLN2 Q96KS0 1/20 0.33

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
SCHEMBL12731280 0.81 NPC1 (0.46) NPC1HSD11B1KMT2AUSP2ALDH1A1
SCHEMBL12731279 0.76 NPC1 (0.41) NPC1HSD11B1KMT2AUSP2ALDH1A1
SCHEMBL1660803 0.74 LMNA (0.48) NPC1HSD11B1KMT2AUSP2ALDH1A1
SCHEMBL11903817 0.74 NPC1 (0.42) NPC1HSD11B1KMT2AUSP2ALDH1A1
SCHEMBL1659930 0.71 NPC1 (0.38) NPC1KMT2AUSP2ALDH1A1HPGD
SCHEMBL1661745 0.70 MAPT (0.45) NPC1KMT2AALDH1A1HPGDDPP4
SCHEMBL1922452 0.70 CRHR1 (0.44) CRHR1DPP4
SCHEMBL1922619 0.69 CRHR1 (0.42) NPC1KMT2ACRHR1MARS1MEN1
SCHEMBL12731277 0.69 NPC1 (0.56) NPC1HSD11B1KMT2AUSP2ALDH1A1
SCHEMBL1660727 0.68 CRHR1 (0.45) CRHR1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086898-A1 PYRAZOLOOXAZOLE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-14 — — 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-20110086898-A1 PYRAZOLOOXAZOLE COMPOUND CRHR1, MC2R, CRHR2 NPC1 2110/4885HSD11B1 466/4885KMT2A 4639/4885

“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.

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