SCHEMBL7069769

SCHEMBL7069769

NCc1ccc2[nH]c(Cc3nc4cc(C(=O)NCCCc5ccccc5)ccc4[nH]3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
NAMPT P43490 2/20 0.47
ALDH1A1 P00352 1/20 0.46
KDM4E B2RXH2 1/20 0.45
FLT3 P36888 1/20 0.44
MLYCD O95822 1/20 0.43
EPHX2 P34913 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7400914 0.97 HDAC6 (0.49) POLBHDAC6HTTNPC1RAB9A
SCHEMBL7068309 0.94 NAMPT (0.50) POLBHDAC6NAMPTALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL7067787 0.92 MLYCD (0.49) POLBHDAC6HTTNPC1RAB9A
SCHEMBL7075759 0.89 FLT3 (0.49) POLBHTTALDH1A1KDM4EFLT3
SCHEMBL7073351 0.88 FLT3 (0.46) POLBHDAC6HTTALDH1A1KDM4E
SCHEMBL7070258 0.88 PLAU (0.53) POLBHDAC6ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7074425 0.87 ALDH1A1 (0.46) POLBHTTALDH1A1FLT3
SCHEMBL7068265 0.86 NAMPT (0.43) POLBHDAC6HTTNAMPTALDH1A1
SCHEMBL7071815 0.86 ALDH1A1 (0.44) POLBHDAC6HTTNAMPTALDH1A1
SCHEMBL7069837 0.85 ALDH1A1 (0.47) POLBHTTNAMPTALDH1A1EPHX2

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-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
EP-1019382-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS, INC. (US) 2000-07-19 EP disclosed
WO-1998045275-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS CORPORATION (US) 1998-10-15 WO 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 POLB 2637/4885HDAC6 379/4885HTT 1862/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 POLB 2297/4885HDAC6 709/4885HTT 3694/4885

“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.