SCHEMBL16491147

SCHEMBL16491147

CCc1cn(-c2ccc(C(=O)O)cc2)nn1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.73
▸ MAOB P27338 2/20 0.73
▸ NOTUM Q6P988 4/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ CA2 P00918 2/20 0.49
▸ CA9 Q16790 2/20 0.49
▸ CA5A P35218 1/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ PTGS2 P35354 2/20 0.48
▸ MIF P14174 2/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ P2RX7 Q99572 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL29828549 0.85 MAOA (0.66) MAOAMAOBMIFP2RX7
SCHEMBL29828653 0.84 P2RX7 (0.67) MAOAMAOBNOTUML3MBTL1POLB
SCHEMBL18965289 0.83 MAOA (0.63) MAOAMAOBNOTUML3MBTL1POLB
SCHEMBL25897470 0.82 POLB (0.62) MAOAMAOBNOTUML3MBTL1POLB
SCHEMBL22532624 0.82 MAOA (0.61) MAOAMAOBNOTUML3MBTL1POLB
SCHEMBL20046238 0.81 MAOA (0.68) MAOAMAOBNOTUML3MBTL1CA2
SCHEMBL22111817 0.80 MIF (0.69) NOTUML3MBTL1CA2CA9CA12
SCHEMBL3777938 0.80 NOTUM (0.68) MAOANOTUML3MBTL1POLBMIF
SCHEMBL29980293 0.79 MAOA (0.57) MAOAMAOBL3MBTL1POLBCA2
SCHEMBL28935748 0.79 MAOA (0.60) MAOAMAOBNOTUML3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150051242-A1 RAFAMYCIN ANALOGS AND METHODS FOR MAKING SAME ZHEJIANG ZYLOX MEDICAL DEVICE CO., LTD. (CN) 2015-02-19 — — US disclosed
US-20150051242-A1 RAFAMYCIN ANALOGS AND METHODS FOR MAKING SAME ZHEJIANG ZYLOX MEDICAL DEVICE CO., LTD. (CN) 2015-02-19 — — 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-20150051242-A1 RAFAMYCIN ANALOGS AND METHODS FOR MAKING SAME RICTOR, MTOR, RPTOR MAOA 3129/4885MAOB 3057/4885NOTUM 3589/4885

“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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