SCHEMBL5487635

SCHEMBL5487635

Sc1nc2cccnc2n1Cc1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 2/20 0.44
TSHR P16473 2/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.42
CYP2C19 P33261 1/20 0.41
AKT1 P31749 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
MEN1 O00255 1/20 0.39
TLR7 Q9NYK1 1/20 0.38
GAA P10253 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38

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
SCHEMBL2618364 0.79 ALDH1A1 (0.50) ALDH1A1KMT2ACYP2C19AKT1MEN1
SCHEMBL5472178 0.74 TSHR (0.48) LMNAALDH1A1TP53TSHRMAPT
SCHEMBL9701321 0.73 TBXA2R (0.53) LMNAKMT2ATP53MAPTMEN1
SCHEMBL21049176 0.73 CYP3A4 (0.40) HTTKDM4ELMNAALDH1A1KMT2A
SCHEMBL19771396 0.72 TP53 (0.51) LMNATP53POLBMAPTPDE4A
SCHEMBL5472139 0.71 KDM4E (0.48) HTTKDM4ELMNAALDH1A1KMT2A
SCHEMBL3259343 0.70 FDPS (0.48) KDM4EKMT2APOLBCYP2C19MEN1
SCHEMBL2618368 0.69 ALDH1A1 (0.46) KDM4EALDH1A1KMT2ACYP2C19MEN1
SCHEMBL7038141 0.69 ALDH1A1 (0.49) HTTKDM4EALDH1A1KMT2ATP53
SCHEMBL7034943 0.69 ALOX5AP (0.45) KDM4ELMNAALDH1A1KMT2ATP53

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-20070275995-A1 Thiobenzimidazole derivatives TEIJIN PHARMA LIMITED 2007-11-29 US disclosed
US-7268145-B2 Thiobenzimidazole derivatives TEIJIN PHARMA LIMITED (JP) 2007-09-11 US disclosed
US-20060040976-A1 Thiobenzimidazole derivatives TEIJIN LIMITED 2006-02-23 US disclosed
US-20050267148-A1 Benzimidazole derivative TEIJIN LIMITED 2005-12-01 US disclosed
EP-1097926-A1 THIOBENZIMIDAZOLE DERIVATIVES TEIJIN LIMITED (JP) 2001-05-09 EP 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 (3 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-20070275995-A1 Thiobenzimidazole derivatives CMA1, SERPINB1, TMPRSS15 HTT 2600/4885KDM4E 3359/4885LMNA 4278/4885
US-20060040976-A1 Thiobenzimidazole derivatives CMA1, SERPINB1, TMPRSS15 HTT 2600/4885KDM4E 3359/4885LMNA 4278/4885
US-20050267148-A1 Benzimidazole derivative CMA1, SERPINB1, TPSAB1 HTT 3473/4885KDM4E 2357/4885LMNA 3900/4885

“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.