SCHEMBL12731277

SCHEMBL12731277

Cc1cc2occ(-c3ccc(Cl)cc3Cl)n2n1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.56
▸ DPP4 P27487 3/20 0.44
▸ HSD11B1 P28845 3/20 0.43
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CRHR1 P34998 5/20 0.39
▸ EGLN2 Q96KS0 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL21303019 0.84 ALDH1A1 (0.40) NPC1HSD11B1ALDH1A1HPGDKMT2A
SCHEMBL12731280 0.77 NPC1 (0.46) NPC1DPP4HSD11B1USP2ALDH1A1
SCHEMBL1924207 0.74 DPP4 (0.50) NPC1DPP4HSD11B1USP2ALDH1A1
SCHEMBL5848807 0.72 NPC1 (0.60) NPC1DPP4HSD11B1USP2ALDH1A1
SCHEMBL16202037 0.72 NPC1 (0.56) NPC1DPP4HSD11B1USP2ALDH1A1
SCHEMBL12731279 0.72 NPC1 (0.41) NPC1DPP4HSD11B1USP2ALDH1A1
SCHEMBL1660803 0.70 LMNA (0.48) NPC1DPP4HSD11B1USP2ALDH1A1
SCHEMBL12360957 0.70 DPP4 (0.46) NPC1DPP4HSD11B1USP2ALDH1A1
SCHEMBL1922413 0.70 DPP4 (0.49) NPC1DPP4CRHR1
SCHEMBL2255045 0.70 DPP4 (0.49) NPC1DPP4HSD11B1USP2ALDH1A1

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 2110/4885DPP4 1019/4885HSD11B1 466/4885

“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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