SCHEMBL1098290

SCHEMBL1098290

CN1C(=O)c2ccccc2[C@H](n2ccnc2)C1(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.49
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
IDE P14735 1/20 0.32
CYP11B2 P19099 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1096672 1.00 CYP19A1 (0.49) CYP19A1MEN1KMT2AIDECYP11B2
SCHEMBL1097187 0.81 CYP19A1 (0.54) CYP19A1CYP11B2
SCHEMBL2822510 0.81 CYP19A1 (0.54) CYP19A1CYP11B2
SCHEMBL2817618 0.81 CYP19A1 (0.54) CYP19A1CYP11B2
SCHEMBL1097189 0.77 CYP19A1 (0.50) CYP19A1CYP11B2
SCHEMBL1098477 0.77 CYP19A1 (0.50) CYP19A1CYP11B2
SCHEMBL1097340 0.76 CYP19A1 (0.52) CYP19A1IDECYP11B2
SCHEMBL1097337 0.76 CYP19A1 (0.52) CYP19A1IDECYP11B2
SCHEMBL1096741 0.72 NPC1 (0.33) MEN1KMT2ACYP11B2NPC1PKM
SCHEMBL1097500 0.72 CYP11B2 (0.46) CYP11B2

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-8153674-B2 Organic compounds NOVARTIS AG (CH) 2012-04-10 US disclosed
US-20090182007-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 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-20090182007-A1 ORGANIC COMPOUNDS REN, CYP17A1, HSD17B1 CYP19A1 166/4885MEN1 4514/4885KMT2A 4290/4885

“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.