SCHEMBL6834041

SCHEMBL6834041

Cc1c(N)cccc1NCCC#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
PIK3CA P42336 1/20 0.42
GAA P10253 5/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.36
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
HSD17B10 Q99714 3/20 0.31
KDM4E B2RXH2 2/20 0.31
HDAC6 Q9UBN7 1/20 0.31
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL29691338 0.83 HTT (0.49) HTTTHRBCYP3A4GAAALDH1A1
SCHEMBL11575405 0.83 HTT (0.49) HTTTHRBCYP3A4GAAALDH1A1
SCHEMBL23908718 0.82 GAA (0.40) HTTTHRBTSHRGAAALDH1A1
SCHEMBL6840595 0.80 HTT (0.46) HTTTHRBGAAALDH1A1MAPT
SCHEMBL1148594 0.79 TSHR (0.48) HTTTSHRCYP3A4PIK3CAGAA
SCHEMBL2574774 0.77 TSHR (0.46) HTTTSHRCYP3A4PIK3CAGAA
SCHEMBL31650514 0.77 TSHR (0.46) HTTTSHRCYP3A4PIK3CAGAA
SCHEMBL6838438 0.77 HTT (0.46) HTTTHRBTSHRCYP3A4PIK3CA
SCHEMBL7134896 0.76 KAT2B (0.50) HTTTSHRCYP3A4PIK3CAALDH1A1
SCHEMBL15928731 0.76 TLR8 (0.46) HTTTSHRCYP3A4PIK3CAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6759503-B2 CYANOETHYLATED TOLUENEDIAMINES (CNTDAS), PROCESSES FOR SYNTHESIZING THEM, AND COMPOSITIONS CONTAINING THEM THE CNTDAS ARE PARTICULARLY SUITABLE FOR USE AS LATENT CURING AGENTS FOR EPOXY RESINS. AIR PRODUCTS AND CHEMICALS, INC. 2004-07-06 US claimed
US-20030144540-A1 N-cyanoethylated ortho and meta toluenediamine compositions and process for making them STARNER WILLIAM EDWARD (US) 2003-07-31 US claimed
US-6593487-B1 Latent curing agents for epoxy resins AIR PRODUCTS AND CHEMICALS, INC. 2003-07-15 US claimed
EP-1321459-A2 N-Cyanoethylated ortho and meta toluenediamine compositions and process for making them AIR PRODUCTS AND CHEMICALS, INC. (US) 2003-06-25 EP claimed

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-20030144540-A1 N-cyanoethylated ortho and meta toluenediamine compositions and process for making them DNMT1, PNMT, TET1 HTT 2214/4885THRB 2814/4885TSHR 4212/4885

“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.