SCHEMBL4247986

SCHEMBL4247986

O=[N+]([O-])c1ccc(N2CCCSCC2)c(F)c1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
MAPT P10636 9/20 0.58
POLB P06746 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2C9 P11712 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
THRB P10828 1/20 0.47
CTSB P07858 1/20 0.47
AR P10275 1/20 0.47
MAPK1 P28482 3/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
TNNI3 P19429 2/20 0.43
TNNT2 P45379 2/20 0.43
TNNC1 P63316 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
KMT2A Q03164 1/20 0.43
PKM P14618 2/20 0.42

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
SCHEMBL4248193 0.77 ALDH1A1 (0.63) ALDH1A1MAPTPOLBCYP1A2CYP2C19
SCHEMBL16513957 0.77 MAPT (0.56) ALDH1A1MAPTCYP1A2CYP2C19CYP2C9
SCHEMBL519289 0.77 CTSB (0.62) ALDH1A1MAPTPOLBCYP1A2CYP2C19
SCHEMBL29847859 0.77 MAPT (0.56) ALDH1A1MAPTCYP1A2CYP2C19CYP2C9
SCHEMBL5945280 0.77 ALDH1A1 (0.58) ALDH1A1MAPTPOLBCYP1A2CYP2C19
SCHEMBL8103840 0.75 ALDH1A1 (0.70) ALDH1A1MAPTPOLBCYP1A2CYP2C19
SCHEMBL853018 0.74 MAPT (0.60) ALDH1A1MAPTPOLBCYP1A2CYP2C19
SCHEMBL939398 0.74 ALDH1A1 (0.68) ALDH1A1MAPTPOLBCYP1A2CYP2C19
SCHEMBL13405633 0.73 MAPT (0.83) ALDH1A1MAPTPOLBCYP1A2CYP2C19
SCHEMBL18396735 0.73 ALDH1A1 (0.66) ALDH1A1MAPTPOLBCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137553-A1 Thiazepine Oxazolidinones as Antibacterial Agents PHARMACIA AND UPJOHN COMPANY LLC (US) 2009-05-28 US disclosed
EP-1819702-A1 THIAZEPINE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2007-08-22 EP disclosed
WO-2006056875-A1 THIAZEPINE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-06-01 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-20090137553-A1 Thiazepine Oxazolidinones as Antibacterial Agents OXA1L, TBCD, CLPP ALDH1A1 2766/4885MAPT 2991/4885POLB 1810/4885

“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.