SCHEMBL10238173

SCHEMBL10238173

Cc1ncc(C2C(=O)[C@@H]3CC[C@@H](C3)C2=O)cc1-c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL10238169 0.79 NPC1 (0.36) SLC6A3PIK3CANPC1RAB9AKMT2A
SCHEMBL10238098 0.70 NPC1 (0.39) KDM1AMAOBSLC6A3MEN1NPC1
SCHEMBL10238092 0.69 CHRNB4 (0.37) —
SCHEMBL10238095 0.69 PRMT5 (0.43) KDM1A
SCHEMBL10237969 0.68 SMN1; SMN2 (0.46) SLC6A3MEN1NPC1RAB9AKMT2A
SCHEMBL10237948 0.67 MAPT (0.38) SLC6A3MEN1NPC1RAB9AKMT2A
SCHEMBL25699193 0.66 ABL1 (0.39) KDM1AMAOBABL1
SCHEMBL10238105 0.66 GPBAR1 (0.41) MAPK1SLC6A3MEN1NPC1KMT2A
SCHEMBL608580 0.66 SLC6A3 (0.36) MAPK1SLC6A3PIK3CAMEN1KMT2A
SCHEMBL3027965 0.65 CHRNB2 (0.40) SLC6A3MEN1KMT2ACYP1A2CYP3A4

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 KDM1A 1481/4885MAOB 1633/4885MAPK1 3814/4885

“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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