SCHEMBL2183570

SCHEMBL2183570

COc1nc2cc(F)c(C=O)cc2nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
MPI P34949 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.35
ERN1 O75460 3/20 0.33
PGK1 P00558 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HRH4 Q9H3N8 2/20 0.32
TRIM24 O15164 1/20 0.32
TYR P14679 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
SCHEMBL30448383 0.76 ALDH1A1 (0.42) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL20719582 0.76 ALDH1A1 (0.42) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL444482 0.74 KDM4E (0.44) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL2169878 0.74 ALDH1A1 (0.36) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL20878467 0.74 KDM4E (0.40) ALDH1A1KDM4ESMN1; SMN2GAAPGK1
SCHEMBL2170526 0.73 ERN1 (0.42) ALDH1A1KDM4EGAAERN1TSHR
SCHEMBL5860050 0.72 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL6304236 0.70 HRH4 (0.56) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL3602260 0.70 HRH4 (0.56) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL4928778 0.69 NQO2 (0.50) ALDH1A1KDM4EKMT2AMEN1MAPT

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
EP-2346862-B1 2-BENZOTHIOPHENYL-AND 2-NAPHTHYL-0XAZ0LIDIN0NES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-09-12 EP disclosed
US-20110195949-A1 2-BENZOTHIOPHENYL- AND 2-NAPHTHYL-OXAZOLIDINONES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-11 US disclosed
EP-2346862-A1 2-BENZOTHIOPHENYL-AND 2-NAPHTHYL-0XAZ0LIDIN0NES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-07-27 EP disclosed
WO-2010041219-A1 2-BENZOTHIOPHENYL-AND 2-NAPHTHYL-0XAZ0LIDIN0NES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-15 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-20110195949-A1 2-BENZOTHIOPHENYL- AND 2-NAPHTHYL-OXAZOLIDINONES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS UQCRB, XDH, TOP2B CYP1A2 360/4885CYP3A4 918/4885CYP2D6 251/4885

“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.