SCHEMBL2855080

SCHEMBL2855080

CC(C)Sc1ccc([N+](=O)[O-])cc1C=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.53
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 1/20 0.47
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44
GAA P10253 2/20 0.40
PTPN1 P18031 1/20 0.40
PTGES O14684 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 1/20 0.38
PDE7A Q13946 1/20 0.37
ADRA2A P08913 1/20 0.37
PNMT P11086 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37

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
SCHEMBL3683205 0.86 ALDH1A1 (0.46) ERN1ALDH1A1KMT2ATXNRD1TXNRD3
SCHEMBL7694234 0.82 ERN1 (0.57) ERN1ALDH1A1KMT2ATXNRD1TXNRD3
SCHEMBL27985725 0.79 ERN1 (0.54) ERN1ALDH1A1KMT2ATXNRD1TXNRD3
SCHEMBL11215635 0.79 ERN1 (0.57) ERN1ALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL16306939 0.79 ERN1 (0.57) ERN1ALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL2117435 0.79 ERN1 (0.57) ERN1ALDH1A1KMT2ATXNRD1TXNRD3
SCHEMBL3067225 0.78 ERN1 (0.53) ERN1ALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL6556637 0.78 ALDH1A1 (0.49) ALDH1A1KMT2ATXNRD1TXNRD3TXNRD2
SCHEMBL6556669 0.78 PDE7A (0.56) ALDH1A1KMT2ATXNRD1TXNRD3TXNRD2
SCHEMBL2917511 0.78 ALDH1A1 (0.49) ALDH1A1KMT2ATXNRD1TXNRD3TXNRD2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718849-B2 Sulfur chelated ruthenium compounds useful as olefin metathesis catalysts BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2017-08-01 US disclosed
US-20140155511-A1 SULFUR CHELATED RUTHENIUM COMPOUNDS USEFUL AS OLEFIN METATHESIS CATALYSTS BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2014-06-05 US disclosed
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-8513151-B2 Sulfur chelated ruthenium compounds useful as olefin metathesis catalysts BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IS) 2013-08-20 US disclosed
US-8420830-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-16 US 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-8039506-B2 Bicyclic lactam factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 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
US-20090156766-A1 Sulfur chelated ruthenium compounds useful as olefin metathesis catalysts BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2009-06-18 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
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
EP-1910298-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-04-16 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
EP-1856096-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Bristol-Myers Squibb Company (US) 2007-11-21 EP disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 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 (5 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-20090156766-A1 Sulfur chelated ruthenium compounds useful as olefin metathesis catalysts TST, MPST, NISCH ERN1 1829/4885ALDH1A1 3167/4885KMT2A 4178/4885
US-20140155511-A1 SULFUR CHELATED RUTHENIUM COMPOUNDS USEFUL AS OLEFIN METATHESIS CATALYSTS C1S, SCO2, AP1S1 ERN1 2197/4885ALDH1A1 3715/4885KMT2A 3469/4885
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 ERN1 967/4885ALDH1A1 2963/4885KMT2A 2453/4885
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants TFPI, SERPINC1, SERPINE1 ERN1 969/4885ALDH1A1 3804/4885KMT2A 860/4885
US-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F9, F8 ERN1 1998/4885ALDH1A1 2361/4885KMT2A 1210/4885

“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.