SCHEMBL7186300

SCHEMBL7186300

C[CH]c1ccccc1N(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.43
MAPT P10636 6/20 0.41
ALDH1A1 P00352 6/20 0.41
GAA P10253 3/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 4/20 0.41
CHEK1 O14757 1/20 0.40
NEK2 P51955 1/20 0.40
LIMK1 P53667 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
HTR6 P50406 1/20 0.36
NSD2 O96028 1/20 0.36
EGFR P00533 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2491893 0.82 GSK3B (0.44) GSK3BMAPTALDH1A1GAATSHR
SCHEMBL29523356 0.82 GSK3B (0.44) GSK3BMAPTALDH1A1GAATSHR
SCHEMBL9493009 0.81 GSK3B (0.41) GSK3BMAPTALDH1A1GAATSHR
SCHEMBL5369580 0.81 GSK3B (0.41) GSK3BMAPTALDH1A1GAATSHR
SCHEMBL97297 0.78 LMNA (0.55) GSK3BMAPTALDH1A1GAATSHR
SCHEMBL29558930 0.78 ALDH1A1 (0.44) GSK3BMAPTALDH1A1GAATSHR
SCHEMBL2904765 0.78 GSK3B (0.42) GSK3BMAPTALDH1A1GAATSHR
SCHEMBL81306 0.78 ALDH1A1 (0.44) GSK3BMAPTALDH1A1GAATSHR
SCHEMBL29954357 0.78 LMNA (0.55) GSK3BMAPTALDH1A1GAATSHR
Hydrochloric Acid SCHEMBL11758316 0.76 LMNA (0.52) GSK3BMAPTALDH1A1GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889691-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2014-11-18 US disclosed
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2014-01-23 US disclosed
US-6583179-B2 For therapy of uterine fibroids, endometriosis, polycystic ovarian disease, dysfunctional uterine bleeding, breast cancer and ovarian cancer; depletion of oocytes; spermatocyte depletion; for female and male contraception ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-24 US disclosed
EP-1244617-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE Ortho-McNeil Pharmaceutical, Inc. (US) 2002-10-02 EP disclosed
WO-2001047875-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-07-05 WO disclosed
EP-0750625-B1 PREPARATION OF MONOCYCLOPENTADIENYL METAL COMPLEXES BY NUCLEOPHILIC SUBSTITUTION OF BIS(CYCLOPENTADIENYL) METAL COMPLEXES DOW CHEMICAL CO (US) 1999-02-03 EP disclosed
US-5659054-A Preparation of monocyclopentadienyl metal complexes by nucleophilic substitution of bis(cyclopentadienyl) metal complexes THE DOW CHEMICAL COMPANY (US) 1997-08-19 US disclosed
EP-0781288-A1 METAL COMPLEXES CONTAINING NON-AROMATIC, ANIONIC, DIENYL GROUPS AND ADDITION POLYMERIZATION CATALYSTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1997-07-02 EP disclosed
US-5622953-A DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG BASF AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
EP-0750625-A1 PREPARATION OF MONOCYCLOPENTADIENYL METAL COMPLEXES BY NUCLEOPHILIC SUBSTITUTION OF BIS(CYCLOPENTADIENYL) METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 1997-01-02 EP disclosed
WO-1996008498-A1 METAL COMPLEXES CONTAINING NON-AROMATIC, ANIONIC, DIENYL GROUPS AND ADDITION POLYMERIZATION CATALYSTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1996-03-21 WO disclosed
EP-0691962-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1996-01-17 EP disclosed
WO-1995025112-A1 PREPARATION OF MONOCYCLOPENTADIENYL METAL COMPLEXES BY NUCLEOPHILIC SUBSTITUTION OF BIS(CYCLOPENTADIENYL) METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 1995-09-21 WO disclosed
WO-1994022842-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1994-10-13 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 (1 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-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF GSK3B 162/4885MAPT 1935/4885ALDH1A1 2800/4885

“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.