SCHEMBL10238236

SCHEMBL10238236

CC(=O)OC1=C(c2nc(-c3ccc(Cl)cc3)ncc2C)C(=O)[C@H]2CC[C@@H]1C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 1/20 0.35
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ CYP1A2 P05177 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ FOS P01100 1/20 0.32
▸ JUN P05412 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL10238239 0.83 PPARD (0.32) PPARDPPARACYP1A2LMNACYP2C9
SCHEMBL18971261 0.71 SLC6A3 (0.37) SLC6A3KDM4EALDH1A1HPGDNPSR1
SCHEMBL12116226 0.71 SLC6A3 (0.37) SLC6A3KDM4EALDH1A1HPGDNPSR1
SCHEMBL10238098 0.69 NPC1 (0.39) SLC6A3PPARDPPARANPC1RAB9A
SCHEMBL13220572 0.68 SLC6A3 (0.41) SLC6A3POLBNPC1RAB9ASMN1; SMN2
SCHEMBL10238226 0.68 GLA (0.37) RAB9AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL12116234 0.68 SLC6A3 (0.41) SLC6A3POLBNPC1RAB9ASMN1; SMN2
SCHEMBL9717383 0.67 ADORA3 (0.45) CYP1A2LMNACYP2C9CYP2C19POLB
SCHEMBL1160395 0.67 L3MBTL1 (0.37) PPARDPPARACYP1A2LMNACYP2C9
SCHEMBL11128277 0.66 SLC6A3 (0.35) SLC6A3LMNAHPGDTSHR

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 SLC6A3 858/4885PPARD 77/4885PPARA 452/4885

“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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