SCHEMBL2698620

SCHEMBL2698620

CC(C)(C)CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
HPGD P15428 3/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
CA1 P00915 7/20 0.50
CA2 P00918 7/20 0.50
CA9 Q16790 6/20 0.50
CA7 P43166 2/20 0.50
CA14 Q9ULX7 2/20 0.50
NPC1 O15118 1/20 0.49
CA12 O43570 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DGAT1 O75907 1/20 0.43
HIF1A Q16665 1/20 0.42

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
SCHEMBL15985342 0.84 CA1 (0.53) RAB9AHPGDGAAMAPTCA1
SCHEMBL20911812 0.84 CA1 (0.53) CA1CA2CA9CA7CA14
SCHEMBL10087199 0.82 CA1 (0.52) CA1CA2CA9CA7CA14
SCHEMBL5618327 0.82 CA1 (0.52) RAB9AHPGDMAPTCA1CA2
SCHEMBL25388983 0.81 TP53 (0.57) RAB9AHPGDMAPTCA1CA2
SCHEMBL13721714 0.81 L3MBTL1 (0.59) HPGDMAPTCA1CA2CA9
SCHEMBL2967779 0.80 CA1 (0.50) HPGDMAPTCA1CA2CA9
SCHEMBL3015460 0.80 CYP1A1 (0.54) MAPTCA1CA2CA9CA7
SCHEMBL3323634 0.80 HPGD (0.55) RAB9AHPGDMAPTCA1CA2
SCHEMBL15981335 0.80 PTPN1 (0.58) RAB9AHPGDGAAMAPTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569331-B2 Substituted benzo[f]lmidazo[1,2-d]pyrido[2,3-b][1,4]diazepine compounds ARQULE, INC. (US) 2013-10-29 US disclosed
WO-2012061342-A2 SUBSTITUTED BENZO-IMIDAZO-PYRIDO-DIAZEPINE COMPOUNDS ARQULE, INC. (US) 2012-05-10 WO disclosed
US-20120108574-A1 Substituted Benzo-Imidazo-Pyrido-Diazepine Compounds ARQULE, INC. (US) 2012-05-03 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-20120108574-A1 Substituted Benzo-Imidazo-Pyrido-Diazepine Compounds BRD4, BRPF3, BRD3 RAB9A 2831/4885HPGD 252/4885GAA 2701/4885

“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.