SCHEMBL7075741

SCHEMBL7075741

CC(=N)N1CCc2[nH]c(Cc3nc4ccc(C(=O)NCCc5cccc6c5OCO6)cc4n3C)nc2C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.34
GAA P10253 1/20 0.34
MTNR1A P48039 1/20 0.33
MAPT P10636 7/20 0.33
TP53 P04637 4/20 0.33
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
DGAT2 Q96PD7 1/20 0.32
POLB P06746 1/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7073312 0.89 TRPV1 (0.37) GAAMTNR1AMAPTTP53LMNA
SCHEMBL7074863 0.84 GAA (0.36) GAAMAPTTP53LMNASMN1; SMN2
SCHEMBL7068242 0.82 TRPV1 (0.36) GAAMTNR1AMAPTTP53LMNA
SCHEMBL7072504 0.82 GAA (0.38) GAASMN1; SMN2ALDH1A1DGAT2POLB
SCHEMBL7068238 0.82 TRPV1 (0.36) GAAMTNR1AMAPTTP53LMNA
SCHEMBL7073496 0.81 NPC1 (0.46) TP53SMN1; SMN2POLBNPC1RAB9A
SCHEMBL7073158 0.81 NAMPT (0.39) GAASMN1; SMN2TSHR
SCHEMBL7071920 0.80 MAPT (0.35) GAAMTNR1AMAPTPOLBNPC1
SCHEMBL7073893 0.80 F10 (0.39) MTNR1AALDH1A1NPC1RAB9AKMT2A
SCHEMBL7072576 0.80 GAA (0.37) GAAMTNR1AMAPTTP53LMNA

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 TGM2 1790/4885PTGDR2 1792/4885GAA 69/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 TGM2 1965/4885PTGDR2 1189/4885GAA 181/4885

“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.