SCHEMBL5376248

SCHEMBL5376248

COCc1nccn1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
HTT P42858 1/20 0.41
NOS1 P29475 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
IDO1 P14902 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.38
PTK2 Q05397 1/20 0.38
PTPN11 Q06124 1/20 0.38
NR1I2 O75469 1/20 0.38
OPRK1 P41145 1/20 0.38
CHRNA4 P43681 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL9615636 0.84 KMT2A (0.48) MAPTHTTNOS1SIRT6MEN1
SCHEMBL25363043 0.82 ALDH1A1 (0.37) MAPTHTTNOS1SIRT6MEN1
SCHEMBL3746738 0.81 PDE4A (0.46) MAPTHTTNOS1MEN1KMT2A
SCHEMBL5375483 0.81 NR1I2 (0.44) MAPTHTTNOS1SIRT6MEN1
SCHEMBL5382886 0.78 FGFR1 (0.38) MAPTKMT2ACYP1A2ALDH1A1LMNA
SCHEMBL11026853 0.78 CYP1A2 (0.44) MAPTHTTMEN1KMT2ACYP1A2
SCHEMBL2048930 0.76 ALDH1A1 (0.57) MAPTHTTNOS1MEN1KMT2A
SCHEMBL9402020 0.76 KMT2A (0.45) MAPTHTTNOS1MEN1KMT2A
SCHEMBL4910027 0.74 MAPT (0.48) MAPTHTTMEN1KMT2AIDO1
SCHEMBL4907556 0.74 IDO1 (0.39) MAPTHTTMEN1KMT2AIDO1

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-7235575-B2 Guanidine mimics as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-06-26 US disclosed
US-20060040973-A1 1-Aminoisoindolyl derivatives and 3-amino- and 3-hydroxy- indazolyl-, benzisoxazolyl, and benzisothiazolyl- derivatives, e.g., 3-(3'-Aminobenzisoxazol-5'-yl)-5-[(2'-aminosulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-5-methylisoxazoline; treating thromboembolic disorders LAM PATRICK Y 2006-02-23 US disclosed
US-6965036-B2 Intermediates for guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2005-11-15 US disclosed
US-6958356-B2 Guanidine mimics factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-25 US disclosed
EP-0991638-B1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-08-17 EP disclosed
US-6906070-B2 Anticoagulants BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 US disclosed
US-20040063772-A1 Novel intermediates for guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-04-01 US disclosed
US-20030069258-A1 Novel guanidine mimics factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-10 US disclosed
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-28 US disclosed
US-6339099-B1 FOR THERAPY AND PROPHYLAXIS OF THROMBOEMBOLIC DISORDER DUPONT PHARMACEUTICALS COMPANY 2002-01-15 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 (4 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-20060040973-A1 1-Aminoisoindolyl derivatives and 3-amino- and 3-hydroxy- indazolyl-, benzisoxazolyl, and benzisothiazolyl- derivatives, e.g., 3-(3'-Aminobenzisoxazol-5'-yl)-5-[(2'-aminosulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-5-methylisoxazoline; treating thromboembolic disorders SERPINC1, F7, SERPINE1 MAPT 4546/4885HTT 3582/4885NOS1 1701/4885
US-20030069258-A1 Novel guanidine mimics factor Xa inhibitors TFPI, F11, F12 MAPT 4607/4885HTT 3999/4885NOS1 538/4885
US-20040063772-A1 Novel intermediates for guanidine mimics as factor Xa inhibitors TFPI, SERPINC1, F11 MAPT 4561/4885HTT 3539/4885NOS1 193/4885
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors F11, SERPINC1, TFPI MAPT 4566/4885HTT 3844/4885NOS1 244/4885

“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.