SCHEMBL6101712

SCHEMBL6101712

Oc1cc2c(cc1Cl)CCCN(C(=S)NCCc1ccc(Cl)cc1)C2

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.90
▸ KMT2A Q03164 6/20 0.90
▸ MEN1 O00255 5/20 0.90
▸ LMNA P02545 5/20 0.90
▸ ALOX12 P18054 2/20 0.90
▸ ALDH1A1 P00352 2/20 0.90
▸ KDM4E B2RXH2 1/20 0.90
▸ GMNN O75496 1/20 0.90
▸ CYP1A2 P05177 1/20 0.90
▸ POLB P06746 1/20 0.90
▸ CYP3A4 P08684 1/20 0.90
▸ CYP2D6 P10635 1/20 0.90
▸ CYP2C9 P11712 1/20 0.90
▸ HPGD P15428 1/20 0.90
▸ ALOX15 P16050 1/20 0.90
▸ TSHR P16473 1/20 0.90
▸ NFKB1 P19838 1/20 0.90
▸ MAPK1 P28482 1/20 0.90
▸ CYP2C19 P33261 1/20 0.90
▸ THPO P40225 1/20 0.90

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
SCHEMBL5708863 1.00 MAPT (0.90) MAPTKMT2AMEN1LMNAALOX12
Capsazepine SCHEMBL122421 0.95 KMT2A (1.00) MAPTKMT2AMEN1LMNAALOX12
Capsazepine SCHEMBL29570456 0.95 KMT2A (1.00) MAPTKMT2AMEN1LMNAALOX12
SCHEMBL5708740 0.94 KMT2A (0.78) MAPTKMT2AMEN1LMNAALOX12
SCHEMBL5708706 0.94 KMT2A (0.78) MAPTKMT2AMEN1LMNAALOX12
SCHEMBL31657800 0.88 KMT2A (0.87) MAPTKMT2AMEN1LMNAALOX12
SCHEMBL5708818 0.88 MAPT (0.69) MAPTKMT2AMEN1LMNAALOX12
SCHEMBL5708805 0.88 KMT2A (0.87) MAPTKMT2AMEN1LMNAALOX12
SCHEMBL5334297 0.87 MEN1 (0.81) MAPTKMT2AMEN1LMNAALOX12
SCHEMBL5708804 0.87 MAPT (0.82) MAPTKMT2AMEN1LMNAALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060040919-A1 Bronchorelaxing compounds RESPIRATORIUS AB (SE) 2006-02-23 — — US disclosed
US-20050165004-A1 Bronchorelaxing compounds RESPIRATORIUS AB (SE) 2005-07-28 — — 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 (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-20050165004-A1 Bronchorelaxing compounds GPR6, CHRM3, NR1H3 MAPT 4611/4885KMT2A 3030/4885MEN1 1409/4885
US-20060040919-A1 Bronchorelaxing compounds CHRM3, GPR3, CHRM2 MAPT 4617/4885KMT2A 3875/4885MEN1 2210/4885

“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.

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