SCHEMBL724315

SCHEMBL724315

O=C1CCCN1Cc1cc(Cl)ccc1C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ DRD2 P14416 1/20 0.39
▸ PLAT P00750 1/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ HTR6 P50406 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ SLC6A2 P23975 4/20 0.37
▸ SLC6A4 P31645 4/20 0.37
▸ SLC6A3 Q01959 4/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ ACHE P22303 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36

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
SCHEMBL6109530 0.83 SLC6A2 (0.46) KMT2AMAPK1PLATHTR6L3MBTL1
SCHEMBL6109813 0.79 ACHE (0.49) KMT2AMAPK1HTR6L3MBTL1SLC6A2
SCHEMBL22324823 0.79 ALDH1A1 (0.44) KMT2AMAPK1PLATL3MBTL1KCNH2
SCHEMBL6251645 0.78 L3MBTL1 (0.51) KMT2AMAPK1HTR6L3MBTL1SLC6A2
SCHEMBL22324855 0.76 L3MBTL1 (0.43) PLATCCNT1CDK9HTR6L3MBTL1
SCHEMBL725693 0.75 HDAC8 (0.51) MAPK1KCNH2ACHE
SCHEMBL725692 0.75 HDAC8 (0.51) MAPK1KCNH2ACHE
SCHEMBL22324948 0.75 L3MBTL1 (0.52) PLATL3MBTL1ACHEHTR2CHTR2B
SCHEMBL3169070 0.74 KMT2A (0.48) KMT2AMAPK1L3MBTL1KCNH2
SCHEMBL22324880 0.74 CYP1A2 (0.46) KMT2AMAPK1PLATSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012025155-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 — — WO disclosed
US-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-03 — — US 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-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 KMT2A 122/4885MAPK1 2473/4885DRD2 4352/4885

“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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