SCHEMBL738903

SCHEMBL738903

CC(=NC#N)N(CCCF)Cc1ccc(Cl)nc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CHRNA7 P36544 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AR P10275 1/20 0.33
ATM Q13315 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FAAH O00519 1/20 0.30

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
SCHEMBL738902 1.00 ALDH1A1 (0.36) ALDH1A1CHRNB2CHRNA4MEN1KMT2A
SCHEMBL16803412 0.93 ALDH1A1 (0.37) ALDH1A1CHRNB2CHRNA4MEN1KMT2A
SCHEMBL14304158 0.84 ALDH1A1 (0.40) ALDH1A1CHRNB2CHRNA4MEN1KMT2A
SCHEMBL10028746 0.84 ALDH1A1 (0.40) ALDH1A1CHRNB2CHRNA4MEN1KMT2A
SCHEMBL764579 0.84 ALDH1A1 (0.40) ALDH1A1CHRNB2CHRNA4MEN1KMT2A
SCHEMBL740264 0.82 ALDH1A1 (0.36) ALDH1A1CHRNB2CHRNA4MEN1KMT2A
SCHEMBL30195631 0.82 ALDH1A1 (0.36) ALDH1A1CHRNB2CHRNA4MEN1KMT2A
SCHEMBL740263 0.82 ALDH1A1 (0.36) ALDH1A1CHRNB2CHRNA4MEN1KMT2A
SCHEMBL737432 0.81 ALDH1A1 (0.35) ALDH1A1CHRNB2CHRNA4MEN1KMT2A
SCHEMBL737430 0.81 ALDH1A1 (0.35) ALDH1A1CHRNB2CHRNA4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266631-B2 Method for preparing peptide-polymer conjugate with stabilized α-helix secondary structure and peptide-polymer conjugate prepared thereby INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2019-04-23 US disclosed
EP-2049488-B1 N'-CYANO-N-ALKYL HALIDE IMIDE AMIDE DERIVATIVES BAYER IP GMBH (DE) 2015-12-09 EP disclosed
EP-2569023-B1 GLYCEROL ESTER ACTIVE AGENT DELIVERY SYSTEMS AND METHODS SURMODICS INC (US) 2015-10-21 EP disclosed
US-8871819-B2 Glycerol ester active agent delivery systems and methods SURMODICS, INC. (US) 2014-10-28 US disclosed
US-8138350-B2 N′-cyano-N-halogenalkylimidamide derivatives BAYER CROPSCIENCE AG (DE) 2012-03-20 US disclosed
US-8138350-B2 N′-cyano-N-halogenalkylimidamide derivatives BAYER CROPSCIENCE AG (DE) 2012-03-20 US disclosed
US-20110275725-A1 GLYCEROL ESTER ACTIVE AGENT DELIVERY SYSTEMS AND METHODS BANK OF MONTREAL, AS COLLATERAL AGENT 2011-11-10 US disclosed
US-20100048646-A1 N'-Cyano-N-Halogenalkylimidamide Derivatives BAYER CROPSCIENCE AG (DE) 2010-02-25 US disclosed
US-20100048646-A1 N'-Cyano-N-Halogenalkylimidamide Derivatives BAYER CROPSCIENCE AG (DE) 2010-02-25 US disclosed
US-5599453-A POROUS MINERAL OXIDE SUBSTRATE MATRIX, THREE-DIMENSIONAL POLYMER GEL NETWORK; FOR SEPARATION OF BIOMOLECULES BIOSEPRA INC. (US) 1997-02-04 US 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-20110275725-A1 GLYCEROL ESTER ACTIVE AGENT DELIVERY SYSTEMS AND METHODS GK, LIPA, LIPE ALDH1A1 559/4885CHRNB2 4628/4885CHRNA4 4572/4885
US-20100048646-A1 N'-Cyano-N-Halogenalkylimidamide Derivatives NCLN, NISCH, DDT ALDH1A1 3834/4885CHRNB2 729/4885CHRNA4 1068/4885

“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.