SCHEMBL17802449

SCHEMBL17802449

CS(=O)(=O)CCNC(=O)c1cnc2nc(-c3cccnc3)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
THRB P10828 1/20 0.42
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
AKR1C3 P42330 1/20 0.38
HDAC6 Q9UBN7 2/20 0.38
LMNA P02545 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
BRAF P15056 1/20 0.38

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
SCHEMBL17801684 0.85 SMN1; SMN2 (0.46) ALDH1A1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL17802456 0.85 RAB9A (0.44) ALDH1A1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL17802492 0.78 CYP19A1 (0.52) ALDH1A1RAB9AMAPTCYP1A2CYP3A4
SCHEMBL17802503 0.72 RAB9A (0.49) ALDH1A1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL17801708 0.71 SMN1; SMN2 (0.47) ALDH1A1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL17802472 0.70 NPC1 (0.52) ALDH1A1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL17801302 0.69 RAB9A (0.42) ALDH1A1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL17802455 0.69 HSD17B10 (0.43) ALDH1A1RAB9AMAPTCYP1A2CYP3A4
SCHEMBL17802478 0.68 RAB9A (0.52) ALDH1A1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL28176313 0.68 SMN1; SMN2 (0.46) ALDH1A1RAB9ASMN1; SMN2MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10138254-B2 Bicyclic compounds as pest control agents BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-11-27 US disclosed
EP-3227302-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2018-07-11 EP disclosed
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
EP-3227302-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
WO-2016087373-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
WO-2016087373-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 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-10138254-B2 Bicyclic compounds as pest control agents DDT, BCHE, BAK1 ALDH1A1 3812/4885RAB9A 736/4885SMN1; SMN2 2393/4885
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 ALDH1A1 3812/4885RAB9A 736/4885SMN1; SMN2 2393/4885

“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.