SCHEMBL6840595

SCHEMBL6840595

Cc1cccc(NCCC#N)c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
MAPT P10636 2/20 0.44
THRB P10828 1/20 0.42
GAA P10253 5/20 0.39
ALDH1A1 P00352 2/20 0.39
CD44 P16070 1/20 0.38
KAT2B Q92831 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
KMT2A Q03164 3/20 0.33
EGFR P00533 1/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
MEN1 O00255 2/20 0.32
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
ALOX15 P16050 1/20 0.31
XBP1 P17861 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) HTTMAPTTHRBGAAALDH1A1
SCHEMBL11575405 0.83 HTT (0.49) HTTMAPTTHRBGAAALDH1A1
SCHEMBL2228032 0.82 HTT (0.67) HTTMAPTTHRBGAAALDH1A1
SCHEMBL6834041 0.80 HTT (0.42) HTTMAPTTHRBGAAALDH1A1
SCHEMBL1136253 0.79 MAPT (0.50) HTTMAPTGAACD44KAT2B
SCHEMBL28155279 0.79 HTT (0.45) HTTMAPTTHRBGAAALDH1A1
SCHEMBL8604110 0.77 MAPT (0.48) HTTMAPTGAAALDH1A1CD44
SCHEMBL11281008 0.77 HTT (0.53) HTTMAPTTHRBGAAALDH1A1
SCHEMBL6838438 0.77 HTT (0.46) HTTMAPTTHRBGAAALDH1A1
SCHEMBL7134112 0.76 KAT2B (0.57) HTTMAPTALDH1A1CD44KAT2B

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 5 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
CN-1426995-A N-cyanoethylated 0-and meta-tolylene diamine composition and preparing process thereof AIR PROD & CHEM (US) 2003-07-02 CN 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 2214/4885MAPT 1299/4885THRB 2814/4885

“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.