SCHEMBL4587369

SCHEMBL4587369

Clc1cccc2[nH]cc(Br)c12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.58
NR4A2 P43354 1/20 0.47
CYP2A6 P11509 1/20 0.46
SLC6A4 P31645 2/20 0.45
IDO1 P14902 1/20 0.42
GAA P10253 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
AHR P35869 1/20 0.36
CLK1 P49759 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
FFAR1 O14842 1/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
PSMB8 P28062 1/20 0.34
NOS1 P29475 1/20 0.34

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
SCHEMBL23467130 0.83 GPR84 (0.46) GPR84NR4A2CYP2A6SLC6A4IDO1
SCHEMBL29764387 0.80 GPR84 (0.64) GPR84NR4A2CYP2A6SLC6A4IDO1
SCHEMBL15826494 0.80 GPR84 (0.64) GPR84NR4A2CYP2A6SLC6A4IDO1
SCHEMBL28973447 0.80 CYP2A6 (0.60) GPR84CYP2A6SLC6A4AHRCLK1
SCHEMBL23487178 0.76 GPR84 (0.46) GPR84NR4A2CYP2A6SLC6A4IDO1
SCHEMBL15826665 0.75 GPR84 (0.58) GPR84NR4A2SLC6A4IDO1GAA
SCHEMBL31332574 0.75 GPR84 (0.58) GPR84NR4A2SLC6A4IDO1GAA
SCHEMBL28410219 0.75 GPR84 (0.58) GPR84NR4A2CYP2A6SLC6A4IDO1
SCHEMBL12093634 0.75 GPR84 (0.58) GPR84NR4A2SLC6A4IDO1GAA
SCHEMBL154700 0.75 GPR84 (0.58) GPR84NR4A2SLC6A4IDO1GAA

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
WO-2021112478-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-06-10 WO disclosed
WO-2021112478-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-06-10 WO disclosed
EP-1671136-A4 A METHOD OF ANALYZING THE TIME-VARYING ELECTRICAL RESPONSE OF A STIMULATED TARGET SUBSTANCE WORLD ENERGY LABS 2 INC (US) 2008-10-22 EP disclosed
EP-1671136-A2 A METHOD OF ANALYZING THE TIME-VARYING ELECTRICAL RESPONSE OF A STIMULATED TARGET SUBSTANCE World Energy Labs (2), Inc. (US) 2006-06-21 EP disclosed
US-6990422-B2 Method of analyzing the time-varying electrical response of a stimulated target substance WORLD ENERGY LABS (2), INC. (US) 2006-01-24 US disclosed
WO-2005029097-A2 A METHOD OF ANALYZING THE TIME-VARYING ELECTRICAL RESPONSE OF A STIMULATED TARGET SUBSTANCE WORLD ENERGY LABS (2), INC. (US) 2005-03-31 WO disclosed
US-20040128088-A1 Method of analyzing the time-varying electrical response of a stimulated target substance BIOURJA ENERGY SYSTEMS, LLC 2004-07-01 US 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 GPR84 2497/4885NR4A2 1946/4885CYP2A6 4365/4885

“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.