SCHEMBL19865034

SCHEMBL19865034

Cc1ccc(C(C)(C)c2cccnc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.51
KIF11 P52732 1/20 0.44
CYP3A4 P08684 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KCNA5 P22460 1/20 0.40
GPR55 Q9Y2T6 1/20 0.38
CYP3A5 P20815 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
SCHEMBL27878089 0.80 CYP19A1 (0.53) CYP19A1KIF11CYP3A4LMNACYP1A2
SCHEMBL19706108 0.80 CYP19A1 (0.46) CYP19A1KIF11CYP3A4LMNACYP1A2
SCHEMBL2084239 0.78 CYP19A1 (0.51) CYP19A1KIF11CYP3A4LMNACYP1A2
SCHEMBL2082074 0.78 CYP19A1 (0.77) CYP19A1CYP3A4CYP3A5
SCHEMBL19440649 0.76 CYP19A1 (0.43) CYP19A1TDP1
SCHEMBL23416769 0.75 CYP3A4 (0.43) CYP19A1CYP3A4LMNACYP1A2CYP11B1
SCHEMBL9165183 0.74 CYP3A4 (0.58) CYP19A1KIF11CYP3A4LMNACYP1A2
SCHEMBL19440389 0.74 CYP19A1 (0.44) CYP19A1CYP3A4KCNA5CYP3A5
SCHEMBL74389 0.73 KIF11 (0.61) CYP19A1KIF11CYP3A4LMNACYP1A2
SCHEMBL31411120 0.73 TSHR (0.46) KIF11LMNACYP1A2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CYP19A1 1569/4885KIF11 2648/4885CYP3A4 2632/4885

“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.