SCHEMBL1680448

SCHEMBL1680448

CCOC(=O)c1cn(-c2cccnc2)nc1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.66
RAB9A P51151 3/20 0.66
NPSR1 Q6W5P4 3/20 0.57
MAPK1 P28482 2/20 0.57
DCTPP1 Q9H773 1/20 0.55
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 1/20 0.46
DGAT1 O75907 2/20 0.46
USP2 O75604 1/20 0.46
ATM Q13315 1/20 0.46
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
GLA P06280 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
HPGD P15428 2/20 0.44

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
SCHEMBL16269097 0.88 NPC1 (0.64) NPC1RAB9ANPSR1MAPK1DCTPP1
SCHEMBL30546579 0.88 NPC1 (0.64) NPC1RAB9ANPSR1MAPK1DCTPP1
SCHEMBL21724017 0.86 NPC1 (0.62) NPC1RAB9ANPSR1MAPK1DCTPP1
SCHEMBL19018205 0.85 NPC1 (0.61) NPC1RAB9ANPSR1MAPK1DCTPP1
SCHEMBL6172144 0.85 NPSR1 (0.67) NPC1RAB9ANPSR1MAPK1ALDH1A1
SCHEMBL24377931 0.84 NPC1 (0.60) NPC1RAB9ANPSR1MAPK1DCTPP1
SCHEMBL4299394 0.84 DGAT1 (0.61) NPC1RAB9ANPSR1MAPK1DCTPP1
SCHEMBL17980321 0.84 NPC1 (0.49) NPC1RAB9ANPSR1MAPK1DCTPP1
SCHEMBL24377663 0.83 NPC1 (0.58) NPC1RAB9ANPSR1MAPK1DCTPP1
SCHEMBL1680248 0.82 NPC1 (0.50) NPC1RAB9AMAPK1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488510-B1 Amides and thioamides as pest control agents BAYER IP GMBH (DE) 2017-03-29 EP disclosed
EP-2488510-B1 Amides and thioamides as pest control agents BAYER IP GMBH (DE) 2017-03-29 EP disclosed
US-20130338367-A1 PYRAZOLE DERIVATIVES AND PESTICIDES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-12-19 US disclosed
EP-2674423-A1 PYRAZOLE DERIVATIVE AND PEST CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2013-12-18 EP disclosed
US-8536204-B2 Amides and thioamides as pesticides BAYER CROPSCIENCE AG (DE) 2013-09-17 US disclosed
US-8536204-B2 Amides and thioamides as pesticides BAYER CROPSCIENCE AG (DE) 2013-09-17 US disclosed
EP-2488510-A1 AMIDES AND THIOAMIDES AS PESTICIDES Bayer CropScience AG (DE) 2012-08-22 EP disclosed
US-20110118290-A1 Novel Amides and Thioamides as Pesticides BAYER CROPSCIENCE AG (DE) 2011-05-19 US disclosed
US-20110118290-A1 Novel Amides and Thioamides as Pesticides BAYER CROPSCIENCE AG (DE) 2011-05-19 US disclosed
US-20110118290-A1 Novel Amides and Thioamides as Pesticides BAYER CROPSCIENCE AG (DE) 2011-05-19 US disclosed
WO-2011045240-A1 AMIDES AND THIOAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2011-04-21 WO disclosed
WO-2011045240-A1 AMIDES AND THIOAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2011-04-21 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-20130338367-A1 PYRAZOLE DERIVATIVES AND PESTICIDES CHRM1, CHRM2, CHRM3 NPC1 2723/4885RAB9A 310/4885NPSR1 720/4885
US-20110118290-A1 Novel Amides and Thioamides as Pesticides NAAA, AADAC, PTMS NPC1 4459/4885RAB9A 1360/4885NPSR1 1462/4885

“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.