SCHEMBL21465545

SCHEMBL21465545

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.51
PTGS2 P35354 4/20 0.48
CCR2 P41597 1/20 0.47
MEN1 O00255 2/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.44
KMT2A Q03164 2/20 0.44
RGS12 O14924 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
GNAI1 P63096 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL21465468 0.93 ABCB11 (0.51) ABCB11PTGS2CCR2MEN1CYP3A4
SCHEMBL23759961 0.93 ABCB11 (0.55) ABCB11PTGS2CCR2MEN1CYP3A4
SCHEMBL21465538 0.89 PTGS2 (0.49) PTGS2CCR2MEN1CYP3A4MAPT
SCHEMBL21465503 0.89 ABCB11 (0.51) ABCB11PTGS2CCR2MEN1CYP3A4
SCHEMBL21465479 0.88 ABCB11 (0.67) ABCB11CCR2MEN1CYP3A4MAPT
SCHEMBL21465625 0.87 PTGES2 (0.48) PTGS2CCR2MEN1CYP3A4MAPT
SCHEMBL21465506 0.87 PTGS2 (0.47) PTGS2MEN1CYP3A4MAPTTSHR
SCHEMBL21465556 0.86 PLA2G2A (0.53) ABCB11CCR2MEN1CYP3A4MAPT
SCHEMBL25761979 0.85 MEN1 (0.52) ABCB11PTGS2CCR2MEN1CYP3A4
SCHEMBL21465632 0.84 PTGDR2 (0.51) ABCB11PTGS2CCR2MEN1CYP3A4

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 6 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

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 ABCB11 280/4885PTGS2 446/4885CCR2 3443/4885
US-20210251958-A1 Antibacterial Compounds MRPL21, SPOUT1, BAX ABCB11 280/4885PTGS2 446/4885CCR2 3443/4885

“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.