SCHEMBL1659930

SCHEMBL1659930

Cc1nn2c(-c3ccc(Cl)cc3Cl)coc2c1N(C(=O)O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.38
▸ MARS1 P56192 5/20 0.36
▸ HPGD P15428 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CRHR1 P34998 5/20 0.34
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ PTPN7 P35236 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ SHMT1 P34896 1/20 0.32

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
SCHEMBL1660803 0.79 LMNA (0.48) NPC1MARS1HPGDKMT2AUSP2
SCHEMBL11903817 0.78 NPC1 (0.42) NPC1MARS1HPGDKMT2AUSP2
SCHEMBL12731280 0.77 NPC1 (0.46) NPC1HPGDKMT2AUSP2ALDH1A1
SCHEMBL1662897 0.76 DPP4 (0.39) NPC1CRHR1CNR1CNR2DPP4
SCHEMBL12789037 0.75 CNR1 (0.40) NPC1HPGDALDH1A1HTTCNR1
SCHEMBL1922619 0.73 CRHR1 (0.42) NPC1MARS1KMT2ACRHR1HTT
SCHEMBL1661745 0.73 MAPT (0.45) NPC1MARS1HPGDKMT2AALDH1A1
SCHEMBL12731279 0.72 NPC1 (0.41) NPC1MARS1HPGDKMT2AUSP2
SCHEMBL12787456 0.71 NPC1 (0.39) NPC1MARS1HPGDKMT2AUSP2
SCHEMBL1660727 0.71 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 2110/4885MARS1 3106/4885HPGD 1302/4885

“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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