SCHEMBL16654048

SCHEMBL16654048

O=C(c1occc1Br)N(Cc1nc(-c2cccs2)no1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ TSHR P16473 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ HDAC8 Q9BY41 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PSMB5 P28074 1/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL16654340 0.84 ALDH1A1 (0.54) LMNAMCL1MAPTRAB9AHPGD
SCHEMBL16654050 0.84 LMNA (0.49) LMNAMCL1MAPTRAB9AHPGD
SCHEMBL202064 0.63 RAB9A (0.61) LMNAMCL1MAPTRAB9AHPGD
SCHEMBL8888284 0.63 MCL1 (0.65) LMNAMCL1MAPTRAB9AHPGD
SCHEMBL6325635 0.62 MCL1 (1.00) LMNAMCL1MAPTRAB9AHPGD
SCHEMBL16654083 0.62 ALDH1A1 (0.52) LMNARAB9AHPGDALDH1A1NPSR1
SCHEMBL4288841 0.61 S1PR3 (0.67) LMNARAB9AHPGDALDH1A1NPSR1
SCHEMBL12434381 0.61 RAB9A (0.61) LMNAMCL1MAPTRAB9AHPGD
SCHEMBL1486703 0.61 RAB9A (0.61) LMNAMCL1MAPTRAB9AHPGD
SCHEMBL4439807 0.61 RAB9A (0.61) LMNAMCL1MAPTRAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160255836-A1 N-CYCLOALKYL-N-(BIHETEROCYCLYMETHYLENE)-(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-09-08 — — US claimed
EP-3057423-A2 N-CYCLOALKYL-N-(BIHETEROCYCLYMETHYLENE)-(THIO)CARBOXAMIDE DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2016-08-24 — — EP claimed
WO-2015055706-A2 N-CYCLOALKYL-N-(BIHETEROCYCLYMETHYLENE)-(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2015-04-23 — — WO claimed
US-10076116-B2 N-cycloalkyl-N-(biheterocyclymethylene)-(thio)carboxamide derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-09-18 — — US disclosed
US-20160255836-A1 N-CYCLOALKYL-N-(BIHETEROCYCLYMETHYLENE)-(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-09-08 — — US disclosed
EP-3057423-A2 N-CYCLOALKYL-N-(BIHETEROCYCLYMETHYLENE)-(THIO)CARBOXAMIDE DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2016-08-24 — — EP disclosed
WO-2015055706-A2 N-CYCLOALKYL-N-(BIHETEROCYCLYMETHYLENE)-(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2015-04-23 — — 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-10076116-B2 N-cycloalkyl-N-(biheterocyclymethylene)-(thio)carboxamide derivatives CBR3, CYP51A1, NIT2 LMNA 2390/4885MCL1 1796/4885MAPT 2863/4885
US-20160255836-A1 N-CYCLOALKYL-N-(BIHETEROCYCLYMETHYLENE)-(THIO)CARBOXAMIDE DERIVATIVES CBR3, CYP51A1, NIT2 LMNA 2390/4885MCL1 1796/4885MAPT 2863/4885

“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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