SCHEMBL607395

SCHEMBL607395

Cc1cnc(-c2ccc(Cl)cc2)nc1C1C(=O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.33
▸ POLB P06746 3/20 0.33
▸ MAP4K4 O95819 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ S1PR2 O95136 1/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ S1PR1 P21453 1/20 0.33

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
SCHEMBL16487523 0.90 ADORA3 (0.36) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL13077786 0.85 NPC1 (0.36) NPC1RAB9ARXFP1KDM4EMAP4K4
SCHEMBL1160646 0.79 NPC1 (0.42) NPC1RAB9ARXFP1KDM4EPOLB
SCHEMBL10238098 0.75 NPC1 (0.39) NPC1RAB9ARXFP1KDM4EMAP4K4
SCHEMBL13058552 0.75 NPC1 (0.39) NPC1RAB9ARXFP1KDM4EPOLB
SCHEMBL13041538 0.74 TARBP2 (0.42) NPC1RAB9AKDM4EPOLBALDH1A1
SCHEMBL13041400 0.73 RAB9A (0.40) NPC1RAB9AKDM4EPOLBMEN1
SCHEMBL1550368 0.69 PGR (0.42) ALDH1A1MAPTTDP2PKM
SCHEMBL11963696 0.69 NPC1 (0.32) NPC1RAB9ARXFP1
SCHEMBL13041525 0.68 KDM4E (0.46) NPC1RAB9AKDM4EPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8956999-B2 Herbicides SYNGENTA LIMITED (GB) 2015-02-17 — — US disclosed
US-8956999-B2 Herbicides SYNGENTA LIMITED (GB) 2015-02-17 — — US disclosed
US-8956999-B2 Herbicides SYNGENTA LIMITED (GB) 2015-02-17 — — US disclosed
EP-2176222-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-11-05 — — EP disclosed
US-8598365-B2 Herbicides SYNGENTA LIMITED (GB) 2013-12-03 — — US disclosed
EP-2173727-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2013-11-06 — — EP disclosed
EP-2173727-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2013-11-06 — — EP disclosed
US-8541594-B2 — — 2013-09-24 — — US disclosed
US-20120040826-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-02-16 — — US disclosed
US-20100279868-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 — — US disclosed
US-20100279868-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 — — US disclosed
EP-2176222-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2010-04-21 — — EP disclosed
EP-2173727-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2010-04-14 — — EP disclosed
WO-2009015877-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-02-05 — — WO disclosed
WO-2009000533-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2008-12-31 — — WO disclosed
WO-2009000533-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2008-12-31 — — 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-20120040826-A1 NOVEL HERBICIDES DDT, HDHD5, DDC NPC1 4773/4885RAB9A 3059/4885RXFP1 2153/4885
US-20100279868-A1 NOVEL HERBICIDES DDT, HPD, HSD17B1 NPC1 4588/4885RAB9A 4207/4885RXFP1 2179/4885

“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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