SCHEMBL3734091

SCHEMBL3734091

Cn1c(-c2cncc(C(=O)NC(N)c3cncc(-c4cc5ccccc5n4C)c3)c2)cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.44
KMT2A Q03164 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNB3 Q05901 1/20 0.41
PHGDH O43175 1/20 0.39
XDH P47989 3/20 0.38
STAT6 P42226 1/20 0.38
MAPT P10636 2/20 0.37
CTSA P10619 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
FASN P49327 1/20 0.37
APP P05067 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL3746115 0.87 SCN10A (0.37) CYP11B2XDHCTSA
SCHEMBL1606155 0.80 CYP11B2 (0.54) CYP11B2KMT2ACHRNB1CHRNB2CHRNB4
SCHEMBL1605888 0.78 KMT2A (0.56) CYP11B2KMT2AHDAC6CHRNB1CHRNB2
SCHEMBL1606170 0.73 CYP2C9 (0.48) CYP11B2KMT2ACHRNB1CHRNB2CHRNB4
SCHEMBL1605248 0.70 KMT2A (0.58) CYP11B2KMT2ACHRNB1CHRNB2CHRNB4
SCHEMBL1606762 0.70 KMT2A (0.58) CYP11B2KMT2ACHRNB1CHRNB2CHRNB4
SCHEMBL1606591 0.70 KMT2A (0.54) CYP11B2KMT2ACHRNB1CHRNB2CHRNB4
SCHEMBL1605168 0.68 KMT2A (0.58) CYP11B2KMT2ACHRNB1CHRNB2CHRNB4
SCHEMBL16196639 0.68 KMT2A (0.58) CYP11B2KMT2ACHRNB1CHRNB2CHRNB4
SCHEMBL1605979 0.68 KMT2A (0.58) CYP11B2KMT2ACHRNB1CHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 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 (1 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-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885KMT2A 4447/4885HDAC6 1794/4885

“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.