SCHEMBL7073473

SCHEMBL7073473

NCc1cccc(CNC(=O)c2ccc3[nH]c(Cc4nc5cc(CN)ccc5[nH]4)nc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.47
CFD P00746 1/20 0.46
PLAU P00749 1/20 0.45
TSHR P16473 1/20 0.44
MAPK10 P53779 1/20 0.44
LMNA P02545 1/20 0.43
HASPIN Q8TF76 1/20 0.42
KLKB1 P03952 1/20 0.42
MAP4K1 Q92918 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
KLK1 P06870 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
SCHEMBL7070258 0.94 PLAU (0.53) HTR2CCFDPLAUTSHRMAPK10
SCHEMBL7072715 0.88 CSNK1D (0.50) HTR2CCFDPLAUTSHRMAPK10
SCHEMBL7074425 0.86 ALDH1A1 (0.46) PLAUTSHRALDH1A1MAPTMAOB
SCHEMBL7068309 0.85 NAMPT (0.50) TSHRLMNAALDH1A1MAPTMEN1
SCHEMBL7075759 0.84 FLT3 (0.49) ALDH1A1
SCHEMBL7069769 0.84 POLB (0.50) ALDH1A1
SCHEMBL7071815 0.83 ALDH1A1 (0.44) ALDH1A1MAPT
SCHEMBL7073351 0.83 FLT3 (0.46) ALDH1A1
SCHEMBL7400914 0.83 HDAC6 (0.49) ALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL7072533 0.83 TRPV1 (0.47) ALDH1A1MAPTCYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 US disclosed
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 HTR2C 1488/4885CFD 596/4885PLAU 306/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 HTR2C 648/4885CFD 1406/4885PLAU 1230/4885

“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.