SCHEMBL13412422

SCHEMBL13412422

Ic1ncn(Cc2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.49
CYP11B2 P19099 3/20 0.49
TNF P01375 1/20 0.49
CYP19A1 P11511 6/20 0.47
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CDK1 P06493 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
TBXAS1 P24557 1/20 0.39
QPCT Q16769 1/20 0.39
CYP4Z1 Q86W10 1/20 0.39
QPCTL Q9NXS2 1/20 0.39

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
SCHEMBL25416318 0.78 CYP19A1 (0.48) CYP11B1CYP11B2TNFCYP19A1HDAC1
SCHEMBL8560818 0.77 CYP19A1 (0.47) CYP11B1CYP11B2TNFCYP19A1HDAC1
SCHEMBL28265365 0.77 CYP19A1 (0.47) CYP11B1CYP11B2TNFCYP19A1HDAC1
SCHEMBL28868948 0.77 CYP19A1 (0.47) CYP11B1CYP11B2TNFCYP19A1HDAC1
SCHEMBL18029763 0.77 CYP19A1 (0.47) CYP11B1CYP11B2TNFCYP19A1HDAC1
SCHEMBL2360983 0.77 CYP19A1 (0.47) CYP11B1CYP11B2TNFCYP19A1HDAC1
SCHEMBL16014748 0.77 HDAC1 (0.58) CYP11B1CYP11B2TNFCYP19A1HDAC1
SCHEMBL28270626 0.77 CYP19A1 (0.47) CYP11B1CYP11B2TNFCYP19A1HDAC1
SCHEMBL18176973 0.73 CYP19A1 (0.43) CYP11B1CYP11B2TNFCYP19A1HDAC1
SCHEMBL1561235 0.73 CYP19A1 (0.43) CYP11B1CYP11B2TNFCYP19A1HDAC1

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
WO-2020065614-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
US-20100069347-A1 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK SHARP & DOHME CORP. 2010-03-18 US disclosed
US-20080280836-A1 Anti-hypercholesterolemic biaryl azetidinone compounds MORRIELLO GREGORI J 2008-11-13 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-20080280836-A1 Anti-hypercholesterolemic biaryl azetidinone compounds APOB, PCSK9, CYP46A1 CYP11B1 165/4885CYP11B2 194/4885TNF 2381/4885
US-20100069347-A1 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS LDLR, PCSK9, CYP46A1 CYP11B1 65/4885CYP11B2 84/4885TNF 1854/4885

“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.