SCHEMBL5952886

SCHEMBL5952886

CCC(=O)c1nc2cc(OC)ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.50
ALDH1A1 P00352 6/20 0.47
MAPT P10636 5/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL27989553 0.85 PDGFRB (0.54) EGLN1ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL4826512 0.84 EGLN1 (0.53) EGLN1ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL5952797 0.84 MEN1 (0.50) EGLN1ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL30707805 0.82 ALDH1A1 (0.55) EGLN1ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL14690251 0.82 ALDH1A1 (0.55) EGLN1ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL25812917 0.81 HRH4 (0.48) ALDH1A1MAPTCYP1A2CYP2C19MEN1
SCHEMBL4697109 0.80 ALDH1A1 (0.47) EGLN1ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL13375266 0.78 DAGLA (0.39) MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL4810953 0.78 KDM4E (0.64) EGLN1ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL7796360 0.78 EGLN1 (0.46) EGLN1ALDH1A1MAPTCYP1A2CYP2C19

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-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 EGLN1 758/4885ALDH1A1 1389/4885MAPT 3479/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A EGLN1 601/4885ALDH1A1 862/4885MAPT 4186/4885

“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.