Sugi Predict

Sugi Predict / Compounds / SCHEMBL3073167

SCHEMBL3073167

SCHEMBL3073167

CC(C)Sc1cccnc1C=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRIM24 O15164 1/20 0.35
▸ TRIM33 Q9UPN9 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ ADRA1D P25100 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ ADRA1B P35368 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ERN1 O75460 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ IDO1 P14902 1/20 0.30

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
SCHEMBL4070222 0.79 L3MBTL1 (0.46) TRIM24TRIM33L3MBTL1ALDH1A1KMT2A
SCHEMBL5700533 0.76 SMN1; SMN2 (0.37) L3MBTL1ALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL5061249 0.76 TRIM24 (0.38) TRIM24TRIM33L3MBTL1ALDH1A1KMT2A
SCHEMBL4065460 0.75 TRIM24 (0.35) TRIM24TRIM33L3MBTL1ALDH1A1KMT2A
SCHEMBL19410840 0.75 NPC1 (0.38) TRIM24TRIM33ALDH1A1ADRA2AADRA2B
SCHEMBL10297562 0.73 L3MBTL1 (0.34) L3MBTL1ALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL5700318 0.72 ADRA2A (0.33) L3MBTL1ALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL2082260 0.72 GABRA1 (0.39) TRIM24TRIM33L3MBTL1ALDH1A1KMT2A
SCHEMBL18485272 0.72 NOS3 (0.47) L3MBTL1ALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL5700039 0.72 TRIM24 (0.38) TRIM24TRIM33L3MBTL1ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061756-B1 2-AMINOCARBONYLPHENYLAMINO-2-PHENILACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2013-09-25 — — EP disclosed
US-8222453-B2 Benzamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 — — US disclosed
US-8222453-B2 Benzamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 — — US disclosed
US-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-09-09 — — US disclosed
US-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-09-09 — — US disclosed
EP-2061756-A2 2-AMINOCARBONYLPHENYLAMINO-2-PHENILACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2009-05-27 — — EP disclosed
WO-2007146719-A2 2-AMINOCARBONYLPHENYLAMINO-2-PHENYLACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-21 — — WO 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-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F9, F8 TRIM24 3335/4885TRIM33 4676/4885L3MBTL1 2634/4885

“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.