SCHEMBL6790825

SCHEMBL6790825

CN(CCC#N)c1ccc(N)c(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.43
▸ CDC25B P30305 1/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ RCE1 Q9Y256 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ RXFP1 Q9HBX9 2/20 0.42
▸ GFER P55789 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ USP2 O75604 2/20 0.41
▸ MCL1 Q07820 2/20 0.41
▸ THRB P10828 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GRK6 P43250 1/20 0.41

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
SCHEMBL5792361 0.80 MAPT (0.47) ALDH1A1CDC25BCASP6RCE1KDM4E
SCHEMBL297278 0.75 KDM4E (0.57) ALDH1A1CDC25BCASP6RCE1KDM4E
Hydrochloric Acid SCHEMBL3016561 0.74 KMT2A (0.58) ALDH1A1CDC25BCASP6RCE1KDM4E
Hydrochloric Acid SCHEMBL1323656 0.74 KMT2A (0.58) ALDH1A1CDC25BCASP6RCE1KDM4E
SCHEMBL5725593 0.72 KDM4E (0.49) ALDH1A1KDM4EKMT2ARXFP1GFER
SCHEMBL11545057 0.71 S100B (0.56) ALDH1A1CDC25BCASP6RCE1KDM4E
SCHEMBL17774928 0.71 IKBKB (0.41) ALDH1A1CDC25BCASP6RCE1KDM4E
SCHEMBL17774944 0.71 IKBKB (0.41) ALDH1A1CDC25BCASP6RCE1KDM4E
SCHEMBL17774956 0.71 IKBKB (0.41) ALDH1A1CDC25BCASP6RCE1KDM4E
SCHEMBL17774921 0.70 SLC16A3 (0.39) ALDH1A1KDM4EKMT2AMAPTMEN1

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-6727250-B2 ADMINISTERING COMPOUNDS SUCH AS TRANS-3-(NAPHTH-2-YL)-BUT-2-ENOIC ACID-N-(2-CARBOXY-PHENYL)-AMIDE OR LIKE FOR THERAPY OF CONDITIONS ASSOCIATED WITH INCREASED TELOMERASE ACTIVITY, E.G. TUMOUR DISEASES BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-04-27 — — US disclosed
EP-1261321-A2 CARBOXYLIC ACID AMIDES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND THE USE AND PRODUCTION THEREOF Boehringer Ingelheim Pharma KG (DE) 2002-12-04 — — EP disclosed
US-20020099089-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and preparation BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-07-25 — — US disclosed
US-6362210-B1 ANTITUMOR, ANTICANCER AGENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-26 — — US disclosed
WO-2001007020-A2 CARBOXYLIC ACID AMIDES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND THE USE AND PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-02-01 — — WO 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-20020099089-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and preparation TERT, NAT1, POT1 ALDH1A1 102/4885CDC25B 1171/4885CASP6 2166/4885

“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.

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