SCHEMBL5375408

SCHEMBL5375408

CCOC(=O)c1cnn(-c2ccc(F)c(C#N)c2)c1-c1ccco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.46
HPGD P15428 6/20 0.45
KDM4E B2RXH2 5/20 0.45
HSD17B10 Q99714 4/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
POLB P06746 4/20 0.44
USP2 O75604 3/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MCL1 Q07820 1/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 4/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL12569243 0.84 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL5383271 0.81 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL12569246 0.81 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL13019204 0.81 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL5382388 0.81 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL5383266 0.80 HTT (0.46) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL13019203 0.80 ALDH1A1 (0.57) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL5907247 0.71 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL3836461 0.71 SMN1; SMN2 (0.44) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL5390665 0.70 TP53 (0.47) ALDH1A1KDM4EMAPTGAAPOLB

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-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-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
EP-0991638-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-04-12 EP disclosed
WO-1998057951-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-12-23 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 (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-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 ALDH1A1 606/4885HPGD 2057/4885KDM4E 232/4885
US-20030069258-A1 Novel guanidine mimics factor Xa inhibitors TFPI, F11, F12 ALDH1A1 2218/4885HPGD 1434/4885KDM4E 396/4885
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors F11, SERPINC1, TFPI ALDH1A1 1803/4885HPGD 1415/4885KDM4E 1218/4885

“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.