SCHEMBL5326554

SCHEMBL5326554

[CH2]n1cc(-c2ccccc2)nn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 4/20 0.52
▸ BCHE P06276 1/20 0.49
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ PTGS2 P35354 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ TEK Q02763 2/20 0.41
▸ EPHB4 P54760 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL3593842 0.77 CHRNB2 (0.49) CA12CA9MEN1KMT2A
SCHEMBL16090317 0.74 CYP19A1 (0.52) CYP19A1BCHENPC1RAB9APTGS2
SCHEMBL6728354 0.74 CYP19A1 (0.52) CYP19A1BCHENPC1RAB9APTGS2
SCHEMBL28316960 0.74 CYP19A1 (0.52) CYP19A1BCHENPC1RAB9APTGS2
SCHEMBL16754127 0.74 CYP19A1 (0.52) CYP19A1BCHENPC1RAB9APTGS2
SCHEMBL9530751 0.74 CYP19A1 (0.52) CYP19A1BCHENPC1RAB9APTGS2
SCHEMBL2687071 0.74 KMT2A (0.52) CYP19A1BCHENPC1RAB9APTGS2
SCHEMBL29105684 0.74 CYP19A1 (0.47) CYP19A1BCHENPC1RAB9APTGS2
SCHEMBL16206235 0.72 CYP19A1 (0.70) CYP19A1NPC1RAB9APTGS2TEK
SCHEMBL1119554 0.72 PTGS2 (0.66) CYP19A1BCHEPTGS2CA12CA1

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
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 — — WO claimed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 — — US claimed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 — — WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 — — 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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 CYP19A1 4559/4885BCHE 2191/4885NPC1 4197/4885

“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.

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