Sugi Predict

Sugi Predict / Compounds / SCHEMBL832880

SCHEMBL832880

SCHEMBL832880

CC(C)(C)OC(=O)C1CNc2nc3ccc([N+](=O)[O-])cc3n21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.40
▸ LMNA P02545 4/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ AHR P35869 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ALDH1A1 P00352 7/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPT P10636 5/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ NPBWR1 P48145 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ TOP1 P11387 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ RHOA P61586 1/20 0.35
▸ PMP22 Q01453 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
SCHEMBL832693 0.83 BRD4 (0.37) BRD4ALDH1A1MAPTHRH4
SCHEMBL832244 0.78 FGFR1 (0.40) LMNAL3MBTL1MEN1KMT2APOLB
SCHEMBL22091264 0.68 ALDH1A1 (0.42) BRD4LMNAL3MBTL1RAB9AMEN1
SCHEMBL6810224 0.67 AR (0.41) LMNARAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL13217181 0.66 ALDH1A1 (0.59) LMNAL3MBTL1RAB9AMEN1KMT2A
SCHEMBL18459405 0.65 BRD4 (0.42) BRD4LMNAL3MBTL1RAB9AMEN1
SCHEMBL9983692 0.65 MAPT (0.44) LMNAKMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL2827710 0.65 ALDH1A1 (0.39) LMNARAB9AMEN1KMT2AALDH1A1
SCHEMBL5674603 0.65 MAPT (0.50) LMNATDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL830827 0.64 ALDH1A1 (0.46) RAB9ATDP1ALDH1A1MAPTNPC1

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
US-8288376-B2 Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole unit, method for preparing same and their therapeutic use SANOFI (FR) 2012-10-16 — — US disclosed
US-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2012-05-17 — — US disclosed
US-8143248-B2 Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole unit, method for preparing same and their therapeutic use SANOFI-AVENTIS (FR) 2012-03-27 — — US disclosed
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-02-12 — — 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-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, CYP3A43 BRD4 71/4885LMNA 2690/4885L3MBTL1 4085/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS BRD4 65/4885LMNA 2463/4885L3MBTL1 4095/4885

“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.