SCHEMBL21465632

SCHEMBL21465632

COC(=O)c1c(OC)c2cc(F)ccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.51
MAPT P10636 7/20 0.51
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2C9 P11712 3/20 0.51
TSHR P16473 3/20 0.51
CYP2C19 P33261 3/20 0.51
HIF1A Q16665 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PTGES2 Q9H7Z7 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ABCB11 O95342 1/20 0.51
CCR2 P41597 1/20 0.47
LMNA P02545 2/20 0.47
PMP22 Q01453 2/20 0.47
MEN1 O00255 1/20 0.47
RGS12 O14924 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL21465503 0.93 ABCB11 (0.51) PTGDR2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL23759961 0.91 ABCB11 (0.55) MAPTCYP1A2CYP3A4CYP2C9TSHR
SCHEMBL21465551 0.88 PTGDR2 (0.57) PTGDR2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL21465535 0.87 MAPT (0.52) PTGDR2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL25761979 0.87 MEN1 (0.52) MAPTCYP1A2CYP3A4CYP2C9TSHR
SCHEMBL9739350 0.87 MAPT (0.60) PTGDR2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL21465513 0.87 PTGDR2 (0.55) PTGDR2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL21465468 0.86 ABCB11 (0.51) MAPTCYP1A2CYP3A4CYP2C9TSHR
SCHEMBL21465545 0.84 ABCB11 (0.51) MAPTCYP1A2CYP3A4CYP2C9TSHR
SCHEMBL21465479 0.83 ABCB11 (0.67) MAPTCYP1A2CYP3A4CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11690824-B2 Antibacterial compounds THE GENERAL HOSPITAL CORPORATION (US) 2023-07-04 US disclosed
US-11690824-B2 Antibacterial compounds THE GENERAL HOSPITAL CORPORATION (US) 2023-07-04 US disclosed
US-11690824-B2 Antibacterial compounds THE GENERAL HOSPITAL CORPORATION (US) 2023-07-04 US disclosed
US-20210251958-A1 Antibacterial Compounds RHODE ISLAND HOSPITAL, A LIFESPAN-PARTNER 2021-08-19 US disclosed
US-20210251958-A1 Antibacterial Compounds RHODE ISLAND HOSPITAL, A LIFESPAN-PARTNER 2021-08-19 US disclosed
WO-2019199979-A1 ANTIBACTERIAL COMPOUNDS THE GENERAL HOSPITAL CORPORATION (US) 2019-10-17 WO disclosed
WO-2019199979-A1 ANTIBACTERIAL COMPOUNDS THE GENERAL HOSPITAL CORPORATION (US) 2019-10-17 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 (2 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-11690824-B2 Antibacterial compounds MRPL21, SPOUT1, BAX PTGDR2 1600/4885MAPT 4705/4885CYP1A2 2853/4885
US-20210251958-A1 Antibacterial Compounds MRPL21, SPOUT1, BAX PTGDR2 1600/4885MAPT 4705/4885CYP1A2 2853/4885

“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.