SCHEMBL5097172

SCHEMBL5097172

COC(=O)c1cc(OC)ccc1NN

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
GAA P10253 2/20 0.56
GLA P06280 1/20 0.56
HSD17B10 Q99714 1/20 0.56
POLB P06746 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
NR4A2 P43354 1/20 0.50
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
MAPT P10636 3/20 0.48
THRB P10828 1/20 0.48
RECQL P46063 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47

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
Hydrochloric Acid SCHEMBL5097168 0.98 KDM4E (0.57) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL7238703 0.86 MEN1 (0.61) KDM4EPOLBALDH1A1HPGDCA2
SCHEMBL14176213 0.84 KDM4E (0.57) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL20455530 0.84 MEN1 (0.60) KDM4EPOLBALDH1A1HPGDCA2
Hydrochloric Acid SCHEMBL6625763 0.84 MEN1 (0.60) KDM4EPOLBALDH1A1HPGDCA2
SCHEMBL382822 0.81 KDM4E (0.66) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL6339834 0.80 KDM4E (0.56) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL267307 0.80 KDM4E (0.62) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL22345013 0.79 KDM4E (0.80) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL30009450 0.79 KDM4E (0.80) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230358732-A1 METHODS AND COMPOUNDS FOR DETECTION AND BINDING OF ALDEHYDES UNIVERSITY OF OTTAWA (CA) 2023-11-09 US disclosed
US-20230358732-A1 METHODS AND COMPOUNDS FOR DETECTION AND BINDING OF ALDEHYDES UNIVERSITY OF OTTAWA (CA) 2023-11-09 US disclosed
US-11696960-B2 Methods and compounds for detection and binding of aldehydes UNIVERSITY OF OTTAWA (CA) 2023-07-11 US disclosed
US-11696960-B2 Methods and compounds for detection and binding of aldehydes UNIVERSITY OF OTTAWA (CA) 2023-07-11 US disclosed
US-7381732-B2 Pyrazolobenzamides and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-03 US disclosed
US-7381732-B2 Pyrazolobenzamides and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-03 US disclosed
US-7381732-B2 Pyrazolobenzamides and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-03 US disclosed
EP-1812403-A2 PYRAZOLOBENZAMIDES AND DERIVATIVES AS FACTOR XA INHIBITORS Brystol-Myers Squibb Company (US) 2007-08-01 EP disclosed
WO-2006047528-A2 PYRAZOLOBENZAMIDES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-04 WO disclosed
US-20060089496-A1 Pyrazolobenzamides and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-04-27 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 (3 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-20230358732-A1 METHODS AND COMPOUNDS FOR DETECTION AND BINDING OF ALDEHYDES ALDH16A1, CRAT, ALDH1A1 KDM4E 4134/4885CYP1A2 926/4885CYP2C19 1333/4885
US-11696960-B2 Methods and compounds for detection and binding of aldehydes ALDH2, ALDH16A1, ALDH1B1 KDM4E 3091/4885CYP1A2 1057/4885CYP2C19 1616/4885
US-20060089496-A1 Pyrazolobenzamides and derivatives as factor Xa inhibitors F12, TFPI, PRSS1 KDM4E 3453/4885CYP1A2 556/4885CYP2C19 424/4885

“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.