SCHEMBL1662888

SCHEMBL1662888

CCc1nn2c(-c3ccc(OC)cc3OC)coc2c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ALPL P05186 1/20 0.40
▸ EDNRB P24530 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MPO P05164 2/20 0.37
▸ ADORA3 P0DMS8 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ CRHR1 P34998 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL1660801 0.89 HTT (0.44) KMT2AUSP2HTTKDM4EPOLB
SCHEMBL11904081 0.86 TP53 (0.40) KMT2AUSP2HTTALPLKDM4E
SCHEMBL12731289 0.84 CRHR1 (0.39) KDM4ETP53CRHR1ALDH1A1CYP3A4
SCHEMBL12731292 0.84 CRHR1 (0.40) KDM4ETP53CRHR1ALDH1A1CYP3A4
SCHEMBL1659936 0.82 CRHR1 (0.37) KMT2AUSP2HTTALPLMPO
SCHEMBL12789052 0.79 ADORA3 (0.36) KMT2AKDM4EMEN1MPOADORA3
SCHEMBL11920576 0.78 CRHR1 (0.36) TP53CRHR1ALDH1A1CYP3A4HSD17B10
SCHEMBL1661747 0.75 CRHR1 (0.44) CRHR1
SCHEMBL12731288 0.72 TSHR (0.39) KMT2AUSP2HTTKDM4EMPO
SCHEMBL1662822 0.72 CRHR1 (0.61) CRHR1

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-2487177-A1 PYRAZOLOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2012-08-15 — — EP disclosed
EP-2487177-A1 PYRAZOLOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2012-08-15 — — EP disclosed
US-20110086898-A1 PYRAZOLOOXAZOLE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-14 — — US disclosed
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 KMT2A 4639/4885USP2 4388/4885HTT 2710/4885

“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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