SCHEMBL257084

SCHEMBL257084

CCc1cc(Cl)cc(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
IDO1 P14902 3/20 0.38
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
PTGS2 P35354 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ITGAL P20701 2/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
GPR139 Q6DWJ6 1/20 0.31
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
GPR35 Q9HC97 1/20 0.30

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
SCHEMBL172803 0.87 TSHR (0.50) TSHRIDO1ALDH1A1MAPTGAA
SCHEMBL811745 0.82 IDO1 (0.44) IDO1MAPTPTGS2TP53SMN1; SMN2
SCHEMBL3790308 0.82 TSHR (0.41) TSHRIDO1ALDH1A1MAPTGAA
SCHEMBL1437868 0.82 PTGS2 (0.39) IDO1MAPTPTGS2TP53SMN1; SMN2
SCHEMBL114694 0.79
SCHEMBL28894230 0.78 TSHR (0.40) TSHRIDO1L3MBTL1TP53CYP3A4
SCHEMBL3983596 0.78 TSHR (0.40) TSHRIDO1ALDH1A1L3MBTL1TP53
SCHEMBL29999249 0.78 TSHR (0.40) TSHRIDO1ALDH1A1L3MBTL1TP53
Nitrogen SCHEMBL27562848 0.77 PTGS2 (0.36) IDO1MAPTPTGS2TP53SMN1; SMN2
SCHEMBL28132886 0.77 PTGS2 (0.47) ALDH1A1PTGS2TP53CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3407720-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow Agrosciences LLC (US) 2018-12-05 EP disclosed
WO-2017132023-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-08-03 WO disclosed
WO-2012028578-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER CROPSCIENCE AG (DE) 2012-03-08 WO disclosed
US-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES CHANG RONALD K 2010-08-05 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-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES ASIC1, ASIC3, TRPV1 TSHR 2801/4885IDO1 55/4885ALDH1A1 2506/4885

“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.