SCHEMBL5040972

SCHEMBL5040972

O=C(NCCN1CCOCC1)Nc1nc2ccc(O)cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.51
▸ AURKA O14965 1/20 0.50
▸ AURKB Q96GD4 1/20 0.50
▸ LMNA P02545 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ CNR1 P21554 1/20 0.49
▸ KMT2A Q03164 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ ABL1 P00519 7/20 0.47
▸ CDK4 P11802 1/20 0.45
▸ CCNA2 P20248 1/20 0.45
▸ CCND1 P24385 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ CCND3 P30281 1/20 0.45
▸ CASR P41180 1/20 0.45
▸ PRMT3 O60678 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TP53 P04637 1/20 0.43

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
SCHEMBL544010 0.92 TSHR (0.51) TSHRAURKAAURKBLMNASMN1; SMN2
SCHEMBL14300263 0.89 TSHR (0.50) TSHRAURKAAURKBLMNASMN1; SMN2
SCHEMBL3099759 0.81 ABL1 (0.49) TSHRAURKAAURKBLMNASMN1; SMN2
SCHEMBL5041057 0.79 MET (0.49) TSHRAURKAAURKBLMNASMN1; SMN2
SCHEMBL14300545 0.79 ABL1 (0.57) ABL1
SCHEMBL3097965 0.78 MET (0.51) TSHRAURKAAURKBLMNASMN1; SMN2
SCHEMBL543789 0.77 ABL1 (0.69) SMN1; SMN2KMT2AALDH1A1ABL1HTT
SCHEMBL5036676 0.76 MET (0.49) TSHRAURKAAURKBLMNASMN1; SMN2
SCHEMBL5036827 0.76 MET (0.49) TSHRAURKAAURKBLMNASMN1; SMN2
SCHEMBL5036032 0.76 MET (0.49) AURKAAURKBLMNASMN1; SMN2KMT2A

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
EP-1432417-B1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER AVENTIS PHARMA SA (FR) 2008-02-20 — — EP disclosed
US-7041668-B2 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2006-05-09 — — US disclosed
US-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2005-01-20 — — US disclosed
EP-1432417-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER Aventis Pharma S.A. (FR) 2004-06-30 — — EP disclosed
WO-2003028721-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER AVENTIS PHARMA S.A. (FR) 2003-04-10 — — 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-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer CDKL3, CCNL2, CDKL1 TSHR 1137/4885AURKA 16/4885AURKB 41/4885

“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.

Send feedback