SCHEMBL1732196

SCHEMBL1732196

OC(Cc1cccc(Br)c1)Cc1cccc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.50
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
MAOB P27338 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 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
SCHEMBL2185725 0.94 SIGMAR1 (0.49) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL13335507 0.94 SIGMAR1 (0.49) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL2187692 0.94 SIGMAR1 (0.49) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL16238296 0.90 TAAR1 (0.46) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL237706 0.88 TAAR1 (0.44) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL7852354 0.88 TAAR1 (0.53) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL3416256 0.87 TAAR1 (0.50) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL14402629 0.85 CYP1A2 (0.46) TAAR1IDO1AGXTSIGMAR1CYP1A2
SCHEMBL13849897 0.85 CYP1A2 (0.46) TAAR1IDO1AGXTSIGMAR1CYP1A2
SCHEMBL22607932 0.84 FOLH1 (0.45) SIGMAR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025108255-A1 POLYCYCLIC DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2025-05-30 WO disclosed
EP-1768989-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-23 EP disclosed
EP-1768989-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-23 EP disclosed
US-7816531-B2 Metal complexes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-7816531-B2 Metal complexes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-7816531-B2 Metal complexes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-20080027220-A1 Metal Complexes MERCK PATENT GMBH (DE) 2008-01-31 US disclosed
US-20080027220-A1 Metal Complexes MERCK PATENT GMBH (DE) 2008-01-31 US disclosed
US-20080027220-A1 Metal Complexes MERCK PATENT GMBH (DE) 2008-01-31 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-20080027220-A1 Metal Complexes AP1M1, SOD1, AP1G1 TAAR1 1616/4885IDO1 915/4885AGXT 2846/4885

“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.