SCHEMBL17802456

SCHEMBL17802456

CSCCNC(=O)c1cnc2nc(-c3cccnc3)sc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
THRB P10828 1/20 0.42
NPC1 O15118 2/20 0.40
HDAC2 Q92769 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
LMNA P02545 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
KCNH2 Q12809 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
SCHEMBL17802449 0.85 ALDH1A1 (0.43) RAB9AALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL17801708 0.85 SMN1; SMN2 (0.47) RAB9AALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL17802492 0.79 CYP19A1 (0.52) RAB9AALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL12725702 0.77 CYP1A2 (0.69) RAB9AALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL14238515 0.76 CYP1A2 (0.52) RAB9AALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL14652378 0.76 MEN1 (0.50) RAB9AALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL16569011 0.74 ALDH1A1 (0.47) RAB9AALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL8255841 0.73 RAB9A (0.68) RAB9AALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL30339130 0.73 RAB9A (0.68) RAB9AALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL17802503 0.72 RAB9A (0.49) RAB9AALDH1A1SMN1; SMN2MAPTCYP1A2

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 9 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
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 RAB9A 736/4885ALDH1A1 3812/4885SMN1; SMN2 2393/4885
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 RAB9A 736/4885ALDH1A1 3812/4885SMN1; 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.