SCHEMBL10238098

SCHEMBL10238098

Cc1cnc(-c2ccc(Cl)cc2)nc1C1C(=O)[C@@H]2CC[C@@H](C2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.35
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ MAP4K4 O95819 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PDE4B Q07343 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ MCHR1 Q99705 2/20 0.32
▸ ADRA2A P08913 1/20 0.32

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
SCHEMBL13058552 0.82 NPC1 (0.39) NPC1RAB9ARXFP1PPARDPPARA
SCHEMBL1160646 0.82 NPC1 (0.42) NPC1RAB9ARXFP1PPARDPPARA
SCHEMBL10238168 0.77 HSD11B1 (0.38) —
SCHEMBL607395 0.75 NPC1 (0.39) NPC1RAB9ARXFP1MAP4K4KDM4E
SCHEMBL608580 0.73 SLC6A3 (0.36) SLC6A3HRH2HRH3KDM4EMEN1
SCHEMBL10238101 0.73 TARBP2 (0.41) NPC1RAB9ASLC6A3PPARAKDM4E
SCHEMBL10237934 0.73 RAB9A (0.40) NPC1RAB9ASLC6A3HRH3KDM4E
SCHEMBL9287104 0.72 PDE1A (0.34) NPC1RAB9ARXFP1PPARDPPARA
SCHEMBL10238169 0.71 NPC1 (0.36) NPC1RAB9ASLC6A3MAP4K4KMT2A
SCHEMBL11963696 0.71 NPC1 (0.32) NPC1RAB9ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176222-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-11-05 — — EP disclosed
US-8541594-B2 — — 2013-09-24 — — US disclosed
US-8541594-B2 — — 2013-09-24 — — US disclosed
US-20120040826-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-02-16 — — US disclosed
US-20120040826-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-02-16 — — US disclosed
WO-2009015877-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-02-05 — — 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 (1 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

“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