SCHEMBL2250254

SCHEMBL2250254

C=CCN[C](C=C)NCC=C

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TSHR P16473 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 1/20 0.41
FAAH O00519 1/20 0.35
RAB9A P51151 1/20 0.34
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 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
SCHEMBL10380003 0.73 ALDH1A1 (0.52) ALDH1A1TSHRSMN1; SMN2MAPTKMT2A
SCHEMBL9298897 0.73
SCHEMBL17209851 0.73
SCHEMBL5612511 0.71 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2MAPTKMT2A
SCHEMBL30851 0.71
SCHEMBL3613613 0.69 ALDH1A1 (0.42) ALDH1A1TSHRSMN1; SMN2MAPTKMT2A
Charcoal, Activated SCHEMBL890031 0.69
Ammonia Solution, Strong SCHEMBL1076016 0.69
SCHEMBL1506053 0.69 ALDH1A1 (0.48) ALDH1A1TSHRSMN1; SMN2MAPTKMT2A
SCHEMBL9819151 0.69 ALDH1A1 (0.62) ALDH1A1TSHRSMN1; SMN2MAPTKMT2A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6559167-B1 Prodrugs of the pyridyl methyl sulfinyl benzimidazole type proton pump inhibitor drugs have a hydrolyzable arylsulfonyl or heteroarylsulfonyl group attached to the benzimidazole nitrogen. The prodrugs of the invention hydrolyze under REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-05-06 US claimed
US-5278187-A Cardioprotection drugs BRITISH TECHNOLOGY GROUP LTD. (GB) 1994-01-11 US claimed
US-5162372-A Diester-diamide-diamine NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1992-11-10 US claimed
US-5149710-A Pharmaceutical compositions for treating psoriasis NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1992-09-22 US claimed
US-4902714-A N,N'-DIPROPARGYLOXYCARBONYLMETHYL-N,N'-DIAMINOCARBONYLMETHYL -1,2-DIAMINOPROPANE NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-02-20 US claimed
US-4755619-A Pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1988-07-05 US claimed
EP-2760952-B1 FLEXIBLE PAVEMENT MARKINGS 3M INNOVATIVE PROPERTIES CO (US) 2018-03-21 EP disclosed
EP-2760952-A1 FLEXIBLE PAVEMENT MARKINGS 3M Innovative Properties Company (US) 2014-08-06 EP disclosed
US-20140213694-A1 Flexible Pavement Markings 3M IINOVATIVE PROPERTIES COMPANY (US) 2014-07-31 US disclosed
WO-2013049488-A1 FLEXIBLE PAVEMENT MARKINGS 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-04-04 WO disclosed
US-20110177011-A1 CERTAIN IMIDAZO[1,2-A]PYRAZIN-8-YLAMINES AND METHOD OF INHIBITION OF BRUTON'S TYROSINE KINASE BY SUCH COMPOUNDS CURRIE KEVIN S 2011-07-21 US disclosed
US-7405295-B2 Certain imidazo[1,2-a]pyrazin-8-ylamines and method of inhibition of Bruton's tyrosine kinase by such compounds CGI PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
WO-2007131881-A1 Use of a high performance water vapor barrier coating for paper under tropical conditions CIBA HOLDING INC. (CH) 2007-11-22 WO disclosed
EP-0579469-A2 N-acyldihydroquinoline derivatives as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-01-19 EP disclosed
US-5185025-A SUBSTITUTED PYRAZOLES AND THEIR USE AS HERBICIDES MONSANTO COMPANY (US) 1993-02-09 US disclosed
US-5045106-A 3-phenoxypyrazole MONSANTO COMPANY (US) 1991-09-03 US disclosed
US-4964895-A Substituted 4-(4-nitrophenoxy) pyrazoles and their use as herbicides MONSANTO COMPANY (US) 1990-10-23 US disclosed
EP-0371947-A1 Substituted pyrazoles and their use as herbicides Monsanto Company (US) 1990-06-06 EP disclosed
EP-0370990-A1 Herbicidal substituted pyrazoles MONSANTO COMPANY (US) 1990-05-30 EP disclosed
EP-0295233-A2 Substituted 3-(4-nitrophenoxy)pyrazoles and their use as herbicides Monsanto Company (US) 1988-12-14 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 (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-20110177011-A1 CERTAIN IMIDAZO[1,2-A]PYRAZIN-8-YLAMINES AND METHOD OF INHIBITION OF BRUTON'S TYROSINE KINASE BY SUCH COMPOUNDS BTK, SYK, JAK1 ALDH1A1 2736/4885TSHR 726/4885SMN1; SMN2 1641/4885

“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.