Sugi Predict

Sugi Predict / Compounds / SCHEMBL4617249

SCHEMBL4617249

SCHEMBL4617249

Cn1c(C(=O)O)cc2cc(C#N)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ HPGD P15428 2/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ MCL1 Q07820 2/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ GPR35 Q9HC97 1/20 0.53
▸ NTRK1 P04629 1/20 0.51
▸ SRD5A2 P31213 2/20 0.49
▸ GFER P55789 1/20 0.49
▸ CCR2 P41597 1/20 0.47
▸ CCR9 P51686 2/20 0.46
▸ ALB P02768 1/20 0.46
▸ TRPA1 O75762 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PLA2G4A P47712 1/20 0.43
▸ EGFR P00533 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ CLK1 P49759 1/20 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
SCHEMBL326814 0.88 MCL1 (0.57) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL9226534 0.84 L3MBTL1 (0.65) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL14118527 0.83 LDHA (0.56) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL7958147 0.81 NTRK1 (0.57) GPR35NTRK1CCR2CCR9ROCK2
SCHEMBL7491576 0.80 MAPT (0.51) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL29755993 0.77 GPR35 (0.46) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL28804000 0.77 GPR35 (0.46) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL2001537 0.77 HSD17B10 (0.68) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL30547707 0.77 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL5599830 0.77 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
EP-2590950-B1 N-CYCLYL-3-(CYCLYLCARBONYLAMINOMETHYL)BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-10-15 — — EP disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 — — US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 — — US disclosed
WO-2012006203-A1 N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 — — WO disclosed
US-8048901-B2 5-{3-[3-(5-Methyl-2-m-tolyloxazol-4-ylmethoxy)cyclohexyloxy]-propyl}-2H-tetrazole; metabolic disorders, insulin resistance, dyslipidemia, Syndrome X AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-11-01 — — US disclosed
US-8048901-B2 5-{3-[3-(5-Methyl-2-m-tolyloxazol-4-ylmethoxy)cyclohexyloxy]-propyl}-2H-tetrazole; metabolic disorders, insulin resistance, dyslipidemia, Syndrome X AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-11-01 — — US disclosed
US-20080249126-A1 1,3-SUBSTITUTED CYCLOALKYL DERIVATIVES HAVING ACIDIC, MOSTLY HETEROCYCLIC GROUPS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-09 — — US disclosed
US-20080249126-A1 1,3-SUBSTITUTED CYCLOALKYL DERIVATIVES HAVING ACIDIC, MOSTLY HETEROCYCLIC GROUPS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-09 — — US disclosed
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 — — EP disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 — — US disclosed
EP-1697304-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 — — EP disclosed
WO-2005054176-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-16 — — WO disclosed
EP-0655439-A2 5,6-Bicyclic glycoprotein IIb IIIa antagonists useful in inhibition of platelet aggregation ELI LILLY AND COMPANY (US) 1995-05-31 — — EP 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-20080249126-A1 1,3-SUBSTITUTED CYCLOALKYL DERIVATIVES HAVING ACIDIC, MOSTLY HETEROCYCLIC GROUPS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS GPR119, PC, FFAR1 KDM4E 4119/4885ALDH1A1 242/4885HPGD 569/4885
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B KDM4E 1141/4885ALDH1A1 787/4885HPGD 1786/4885
US-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA KDM4E 2031/4885ALDH1A1 2674/4885HPGD 771/4885
US-20070082907-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD KDM4E 4292/4885ALDH1A1 1398/4885HPGD 269/4885

“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.