SCHEMBL2851538

SCHEMBL2851538

N[C@H]1CCOc2cc(C(=O)NSc3ccncc3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.44
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
ROCK2 O75116 9/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
PTGER3 P43115 1/20 0.35
KDM6B O15054 2/20 0.35
KDM4C Q9H3R0 2/20 0.35
ROCK1 Q13464 1/20 0.35

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
SCHEMBL4442650 1.00 MAPT (0.44) MAPTTP53CASP3SENP7CTNNB1
SCHEMBL5956871 1.00 MAPT (0.44) MAPTTP53CASP3SENP7CTNNB1
SCHEMBL2851860 0.84 KDM4C (0.41) MAPTTP53KDM6BKDM4C
SCHEMBL5131179 0.84 KDM4C (0.41) MAPTTP53KDM6BKDM4C
SCHEMBL4451520 0.84 KDM4C (0.41) MAPTTP53KDM6BKDM4C
SCHEMBL4438572 0.83 MAPT (0.65) MAPTTP53CASP3SENP7RAB9A
SCHEMBL4438577 0.83 MAPT (0.65) MAPTTP53CASP3SENP7RAB9A
SCHEMBL4442271 0.83 MAPT (0.65) MAPTTP53CASP3SENP7RAB9A
Hydrochloric Acid SCHEMBL5956878 0.82 TP53 (0.64) MAPTTP53CASP3SENP7ROCK2
SCHEMBL4444534 0.82 KDM4C (0.38) KDM6BKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP claimed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US claimed
US-20030158413-A1 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-08-21 US claimed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 EP claimed
US-7696194-B2 treating with fasudil hydrochloride; enzyme inhibitor of Rho kinase; promoting regeneration of an optic nerve cell SENJU PHARMACEUTICAL CO., LTD. (JP) 2010-04-13 US disclosed
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION UNITED THERAPEUTICS CORPORATION 2009-02-05 US disclosed
WO-2008049000-A2 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION UNITED THERAPEUTICS CORPORATION (US) 2008-04-24 WO disclosed
US-7109208-B2 Visual function disorder improving agents SENJU PHARMACEUTICAL CO., LTD. (JP) 2006-09-19 US disclosed
US-20060148852-A1 Visual function disorder improving agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-07-06 US disclosed
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP disclosed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US disclosed
US-20040106646-A1 Visual function disorder improving agents SENJU PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
EP-1378247-A1 VISUAL FUNCTION IMPROVING AGENTS Senju Pharmaceutical Co., Ltd. (JP) 2004-01-07 EP disclosed
US-20030158413-A1 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-08-21 US disclosed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 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-20030158413-A1 Amide compounds and use thereof ROCK2, ROCK1, RHOT2 MAPT 1859/4885TP53 4130/4885CASP3 3879/4885
US-20040106646-A1 Visual function disorder improving agents ARHGDIA, GAP43, RHOT2 MAPT 2160/4885TP53 4587/4885CASP3 1678/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA MAPT 3620/4885TP53 3793/4885CASP3 4059/4885
US-20060148852-A1 Visual function disorder improving agents GAP43, ARHGDIA, RHOT2 MAPT 1852/4885TP53 4688/4885CASP3 1746/4885

“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.