SCHEMBL7071982

SCHEMBL7071982

O=C(NCCc1cccc2ccccc12)c1ccc2[nH]c(Cc3nc4ccccc4[nH]3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.53
MAPT P10636 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PKM P14618 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 3/20 0.51
TRPV1 Q8NER1 1/20 0.51
POLB P06746 1/20 0.51
TSHR P16473 2/20 0.49
RECQL P46063 1/20 0.49
ALDH1A1 P00352 1/20 0.48
EGFR P00533 1/20 0.48
ERBB2 P04626 1/20 0.48
MAPK10 P53779 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MTNR1A P48039 1/20 0.46

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
SCHEMBL7073654 0.92 TRPV1 (0.49) THRBMAPTL3MBTL1PKMMAPK1
SCHEMBL7405762 0.91 F10 (0.51) THRBMAPTL3MBTL1PKMMAPK1
SCHEMBL7072533 0.90 TRPV1 (0.47) THRBMAPTL3MBTL1PKMMAPK1
SCHEMBL7075076 0.88 TRPV1 (0.46) THRBMAPTL3MBTL1PKMMAPK1
SCHEMBL7126171 0.87 L3MBTL1 (0.62) L3MBTL1TRPV1POLBALDH1A1MEN1
SCHEMBL7406000 0.81 L3MBTL1 (0.67) L3MBTL1TRPV1POLBALDH1A1MEN1
SCHEMBL7072715 0.80 CSNK1D (0.50) MAPTPKMTSHRALDH1A1EGFR
SCHEMBL7075301 0.78 TRPV1 (0.51) MAPTL3MBTL1TRPV1POLBMEN1
SCHEMBL7072699 0.78 TRPV1 (0.40) THRBMAPTTRPV1ALDH1A1MTNR1A
SCHEMBL7068332 0.77 F2 (0.40) THRBMAPTTRPV1POLBALDH1A1

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 THRB 4581/4885MAPT 2104/4885L3MBTL1 4824/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 THRB 3865/4885MAPT 2289/4885L3MBTL1 4750/4885

“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.