SCHEMBL9945336

SCHEMBL9945336

N#Cc1ccc(C(n2ccnn2)C2(O)CCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 16/20 0.58
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CYP2C19 P33261 1/20 0.33
CTSC P53634 1/20 0.32
KCNH2 Q12809 1/20 0.32
LMNA P02545 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
SCHEMBL9945322 0.99 CYP19A1 (0.57) CYP19A1TSHRSMN1; SMN2NPSR1OPRM1
SCHEMBL9945342 0.74 CYP19A1 (1.00) CYP19A1TSHRCYP3A4CYP11B1CYP11B2
SCHEMBL9192169 0.70 CYP19A1 (0.59) CYP19A1TSHRCYP3A4CYP11B1CYP11B2
SCHEMBL9192289 0.64 CYP19A1 (0.34) CYP19A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL1242629 0.63 CYP19A1 (0.57) CYP19A1TSHRCYP3A4CYP11B1CYP11B2
SCHEMBL9198410 0.63 CYP19A1 (0.34) CYP19A1TSHRSMN1; SMN2NPSR1OPRM1
SCHEMBL1243448 0.63 CYP19A1 (0.52) CYP19A1CYP3A4CYP11B2KCNH2
SCHEMBL8104665 0.63 CYP19A1 (0.52) CYP19A1CYP11B1CYP11B2
SCHEMBL9191514 0.62 LMNA (0.34) CYP19A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL9197607 0.61 LMNA (0.36) CYP19A1TSHRSMN1; SMN2NPSR1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669274-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
US-8669274-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
US-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CYP19A1 898/4885TSHR 1086/4885SMN1; SMN2 1142/4885

“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.