SCHEMBL2489812

SCHEMBL2489812

Cc1ccc(BO)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 1/20 0.38
▸ HTR3E A5X5Y0 1/20 0.38
▸ HTR3B O95264 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ HTR3D Q70Z44 1/20 0.38
▸ HTR3C Q8WXA8 1/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ RAPGEF4 Q8WZA2 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CD44 P16070 1/20 0.34

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
SCHEMBL14135197 0.82 MCL1 (0.38) CYP3A4MAPTNPC1RAB9AMEN1
SCHEMBL14394902 0.79 CYP3A4 (0.48) CYP3A4MAPTHTR3EHTR3BHTR3A
SCHEMBL46965 0.78 ALDH1A1 (0.40) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL8042030 0.78 HSD17B10 (0.46) CYP3A4HTR3EHTR3BHTR3AHTR3D
SCHEMBL5422262 0.74 CYP3A4 (0.48) CYP3A4MAPTHTR3EHTR3BHTR3A
SCHEMBL13191461 0.73 HDAC1 (0.41) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL14140382 0.73 KMT2A (0.42) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL19523880 0.72 HTT (0.43) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL16229877 0.70 CA1 (0.54) CYP3A4NPC1RAB9AMEN1KMT2A
SCHEMBL14273283 0.69 CSNK2A1 (0.51) CYP3A4MEN1KMT2ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 — — US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 — — US disclosed
EP-1865968-A2 TOPICAL FORMULATIONS OF BORINIC ACID ANTIBODIES AND THEIR METHODS OF USE Anacor Pharmaceuticals, Inc. (US) 2007-12-19 — — EP disclosed
WO-2006102604-A2 TOPICAL FORMULATIONS OF BORINIC ACID ANTIBODIES AND THEIR METHODS OF USE ANACOR PHARMACEUTICALS, INC. (US) 2006-09-28 — — WO disclosed
US-20060217347-A1 Topical formulations of borinic acid antibiotics and their methods of use ANACOR PHARMACEUTICALS, INC. 2006-09-28 — — 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 (2 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 CYP3A4 3743/4885MAPT 3240/4885HTR3E 4405/4885
US-20060217347-A1 Topical formulations of borinic acid antibiotics and their methods of use CUTA, BROX, BTD CYP3A4 3814/4885MAPT 3761/4885HTR3E 4807/4885

“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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