SCHEMBL4340700

SCHEMBL4340700

CCC(N)c1ccccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
CYP3A4 P08684 3/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 2/20 0.39
SLC6A4 P31645 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HSD17B10 Q99714 2/20 0.33
PIK3CA P42336 1/20 0.33
ADRA2B P18089 1/20 0.33
PTGS1 P23219 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL3678678 0.85 TSHR (0.44) ALDH1A1TSHRSLC6A4
SCHEMBL9439770 0.83 ALDH1A1 (0.41) ALDH1A1CYP3A4ALOX15CASP1CASP7
SCHEMBL11776948 0.81 ALDH1A1 (0.39) ALDH1A1CYP3A4TSHRSLC6A4TDP1
SCHEMBL1537231 0.79 CYP1A2 (0.43) ALDH1A1CYP3A4ALOX15CASP1CASP7
SCHEMBL1602038 0.79 ALDH1A1 (0.45) ALDH1A1CYP3A4ALOX15CASP1CASP7
SCHEMBL27342300 0.79 ALOX15 (0.41) ALDH1A1CYP3A4ALOX15CASP1CASP7
SCHEMBL2495978 0.79 ALDH1A1 (0.45) ALDH1A1CYP3A4ALOX15CASP1CASP7
SCHEMBL16805956 0.78 TAAR1 (0.41) ALDH1A1CYP3A4ALOX15CASP1CASP7
SCHEMBL9439895 0.78 CYP1A2 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL8127391 0.77 HRH1 (0.43) ALDH1A1CYP3A4ALOX15CASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105916499-B 12-epi-pleuromutilins 纳布里瓦治疗股份公司 2020-02-18 CN disclosed
US-9481684-B2 Gonadotropin releasing hormone receptor antagonists, method for the preparation thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2016-11-01 US disclosed
US-20150166558-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO., LTD. (KR) 2015-06-18 US disclosed
WO-2013129879-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO., LTD. (KR) 2013-09-06 WO disclosed
US-8471290-B2 Compositions and methods for generating white light Rutgers. The State University of New Jersey (US) 2013-06-25 US disclosed
US-20110049560-A1 COMPOSITIONS AND METHODS FOR GENERATING WHITE LIGHT NATIONAL SCIENCE FOUNDATION 2011-03-03 US disclosed
WO-2009120716-A1 COMPOSITIONS AND METHODS FOR GENERATING WHITE LIGHT RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-10-01 WO disclosed
EP-1020513-B1 Laundry article which attracts soil and dyes NAT STARCH CHEM INVEST (US) 2002-12-11 EP disclosed
US-20020082425-A1 For therapy of obesity and diabetes NEUROGEN CORPORATION 2002-06-27 US disclosed
US-6271241-B1 BENZYLIMIDAZOLE DERIVATIVES AS MODULATORS OF BLOOD GLUCOSE LEVELS, ALSO USEFUL AS PROBES FOR LOCALIZATION OF CELLULAR RECEPTORS INVOLVED WITH SUCH MODULATION; FOOD METABOLISM AND FEEDING; TREATING DIABETES, OBESITY NEUROGEN CORPORATION 2001-08-07 US disclosed
US-6228783-B1 ARTICLE EFFECTIVE FOR INHIBITING TRANSFER OF EXTRANEOUS DYES AND SOIL TO ARTICLES IN WASH LIQUOR NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION 2001-05-08 US disclosed
EP-1020513-A2 Laundry article which attracts soil and dyes National Starch and Chemical Investment Holding Corporation (US) 2000-07-19 EP disclosed
EP-0984056-A1 Functionalized polyamines National Starch and Chemical Investment Holding Corporation (US) 2000-03-08 EP disclosed
US-6008316-A Functionalized polyamines NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1999-12-28 US disclosed
US-5336749-A Alicyclic diamines, alicyclic diisocyanates and polyisocyanato-isocyanurates and method for the preparation thereof MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-08-09 US disclosed
EP-0394058-B1 ALICYCLIC DIAMINES, ALICYCLIC DIISOCYANATES AND POLYISOCYANATO-ISOCYANURATES AND METHOD FOR THE PREPARATION THEREOF MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-08-25 EP disclosed
US-5210286-A Hydrogenation of corresponding aromatic compound, reaction with phosgene MITSUI TOATSU CHEMICALS, INC. (JP) 1993-05-11 US disclosed
US-5126426-A Catalytic hydrogenation of aromatic diamine MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-06-30 US disclosed
CN-1046522-A Alicyclic diamine and vulcabond of alicyclic ring and polyisocyanate root close isocyanuric acid ester and preparation method thereof MITSUI TOATSU CHEMICALS (JP) 1990-10-31 CN disclosed
EP-0394058-A1 Alicyclic diamines, alicyclic diisocyanates and polyisocyanato-isocyanurates and method for the preparation thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-10-24 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 (2 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-20150166558-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME GNRHR, FSHR, GHRHR ALDH1A1 4385/4885CYP3A4 3011/4885ALOX15 1060/4885
US-20020082425-A1 For therapy of obesity and diabetes GPR119, GLP1R, NPY1R ALDH1A1 363/4885CYP3A4 1082/4885ALOX15 1756/4885

“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.