SCHEMBL16654050

SCHEMBL16654050

O=C(c1cccs1)N(Cc1nc(-c2cccs2)no1)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 7/20 0.49
▸ MCL1 Q07820 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ TSHR P16473 6/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ NPSR1 Q6W5P4 6/20 0.47
▸ HTT P42858 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ POLB P06746 2/20 0.46
▸ PSMB5 P28074 1/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GRM5 P41594 2/20 0.45

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 0.86 ALDH1A1 (0.54) LMNAMCL1MAPTHPGDTSHR
SCHEMBL16654048 0.84 LMNA (0.44) LMNAMCL1MAPTHPGDTSHR
SCHEMBL16654037 0.75 SLC6A9 (0.46) LMNAHPGDTSHRALDH1A1NPSR1
SCHEMBL18155076 0.74 ALDH1A1 (0.51) LMNAMAPTTSHRALDH1A1NPSR1
SCHEMBL8888284 0.68 MCL1 (0.65) LMNAMCL1MAPTHPGDTSHR
SCHEMBL3278798 0.67 RAB9A (0.53) MAPTHPGDTSHRALDH1A1NPSR1
SCHEMBL6325635 0.67 MCL1 (1.00) LMNAMCL1MAPTHPGDALDH1A1
SCHEMBL4288841 0.66 S1PR3 (0.67) LMNAHPGDTSHRALDH1A1NPSR1
SCHEMBL22076151 0.66 HDAC4 (0.39) MAPTALDH1A1
SCHEMBL202064 0.65 RAB9A (0.61) LMNAMCL1MAPTHPGDTSHR

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.

Send feedback