SCHEMBL14565028

SCHEMBL14565028

N#Cc1ccc(C(=O)c2ccc3c(c2)SCC(=O)N3)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.57
▸ MAOA P21397 9/20 0.57
▸ HTT P42858 2/20 0.50
▸ EPHX2 P34913 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37

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
SCHEMBL4653865 0.83 HTT (0.62) MAOBMAOAHTTEPHX2ALDH1A1
SCHEMBL3012370 0.83 MAOB (0.64) MAOBMAOAHTTEPHX2CYP11B1
SCHEMBL14565018 0.78 SMYD3 (0.50) EPHX2
SCHEMBL14565123 0.78 MAOB (0.56) MAOBMAOAHTTEPHX2ALDH1A1
SCHEMBL3006703 0.77 HTT (0.79) MAOBMAOAHTTEPHX2ALDH1A1
SCHEMBL8786021 0.76 MAOB (0.61) MAOBMAOAHTTEPHX2ALDH1A1
SCHEMBL7269768 0.76 MAOA (0.55) MAOBMAOAHTTEPHX2ALDH1A1
SCHEMBL4652613 0.75 HTT (0.76) MAOBMAOAHTTEPHX2ALDH1A1
SCHEMBL14565030 0.73 LMNA (0.51) HTTALDH1A1LMNAPDE3BPDE3A
SCHEMBL14565024 0.73 GAA (0.59) ALDH1A1LMNAPOLB

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-20070054899-A1 Aromatase inhibitor compounds and uses thereof PARALLEL WIRELESS, INC. 2007-03-08 — — US disclosed
US-20070054899-A1 Aromatase inhibitor compounds and uses thereof PARALLEL WIRELESS, INC. 2007-03-08 — — 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-20070054899-A1 Aromatase inhibitor compounds and uses thereof CYP19A1, CYP17A1, HSD17B11 MAOB 104/4885MAOA 97/4885HTT 4268/4885

“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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