SCHEMBL7069978

SCHEMBL7069978

Cn1c(Cc2nc3cc(CN)ccc3[nH]2)nc2cc(C(=O)NCCN)ccc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.43
HDAC6 Q9UBN7 9/20 0.41
HDAC1 Q13547 2/20 0.41
ALDH1A1 P00352 3/20 0.41
BCHE P06276 1/20 0.40
CNR2 P34972 1/20 0.40
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL7071912 0.95 RORC (0.42) RORCHDAC6HDAC1ALDH1A1BCHE
SCHEMBL7074425 0.87 ALDH1A1 (0.46) ALDH1A1MAPT
SCHEMBL7068265 0.82 NAMPT (0.43) HDAC6ALDH1A1HSD17B10MAPTTP53
SCHEMBL7071870 0.81 NPC1 (0.46) HDAC6ALDH1A1BCHECNR2MAPT
SCHEMBL7075759 0.81 FLT3 (0.49) ALDH1A1HSD17B10
SCHEMBL7072699 0.80 TRPV1 (0.40) HDAC6HDAC1ALDH1A1MAPTTP53
SCHEMBL7073351 0.80 FLT3 (0.46) HDAC6HDAC1ALDH1A1HSD17B10
SCHEMBL7071815 0.78 ALDH1A1 (0.44) HDAC6ALDH1A1MAPT
SCHEMBL7068309 0.76 NAMPT (0.50) HDAC6ALDH1A1MAPTMEN1KMT2A
SCHEMBL7075045 0.76 FLT3 (0.40) RORCHDAC6HDAC1ALDH1A1HSD17B10

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 RORC 317/4885HDAC6 379/4885HDAC1 659/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 RORC 263/4885HDAC6 709/4885HDAC1 960/4885

“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.