SCHEMBL5524609

SCHEMBL5524609

NC1(c2ccc(-c3c(F)cc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 17/20 0.59
CYP3A4 P08684 4/20 0.55
CYP2D6 P10635 1/20 0.55
MAOB P27338 1/20 0.53
CYP2C9 P11712 1/20 0.52

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
SCHEMBL5518226 0.90 MAOA (0.74) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL3369133 0.89 MAOA (0.56) MAOACYP3A4CYP2D6MAOBCYP2C9
SCHEMBL13335260 0.89 MAOA (0.56) MAOACYP3A4CYP2D6MAOBCYP2C9
SCHEMBL3367255 0.88 MAOA (0.56) MAOACYP3A4CYP2D6MAOBCYP2C9
SCHEMBL13708299 0.88 MAOA (0.56) MAOACYP3A4CYP2D6MAOBCYP2C9
SCHEMBL5515504 0.88 MAOA (0.56) MAOACYP3A4CYP2D6MAOBCYP2C9
SCHEMBL13708300 0.87 MAOA (0.56) MAOACYP3A4CYP2D6MAOBCYP2C9
SCHEMBL13335090 0.87 MAOA (0.54) MAOACYP3A4CYP2D6MAOBCYP2C9
SCHEMBL5515506 0.85 MAOA (0.54) MAOACYP3A4
SCHEMBL13708297 0.84 MAOA (0.59) MAOACYP3A4CYP2D6MAOBCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185132-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereo MERCK & CO., INC. 2007-08-09 US claimed
EP-1654259-A1 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2006-05-10 EP claimed
WO-2005005420-A1 CYCLOPROPYL GROUP SUBSTITUTED OYAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2005-01-20 WO claimed
US-20070185132-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereo MERCK & CO., INC. 2007-08-09 US disclosed
US-20070185132-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereo MERCK & CO., INC. 2007-08-09 US disclosed
US-20070185132-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereo MERCK & CO., INC. 2007-08-09 US disclosed
EP-1654259-A1 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2006-05-10 EP disclosed
WO-2005005420-A1 CYCLOPROPYL GROUP SUBSTITUTED OYAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2005-01-20 WO 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-20070185132-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereo IL17A, COASY, OXA1L MAOA 2435/4885CYP3A4 108/4885CYP2D6 103/4885

“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.