SCHEMBL10200133

SCHEMBL10200133

COc1cc2c(cc1OC)C(=O)N(CBr)C2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ CYP3A4 P08684 2/20 0.42
▸ ACHE P22303 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPT P10636 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ ADRA1B P35368 1/20 0.37
▸ ADAM17 P78536 1/20 0.37

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
SCHEMBL29322848 0.85 KMT2A (0.51) MEN1KMT2ACYP3A4ACHEALDH1A1
SCHEMBL30179164 0.84 MEN1 (0.48) MEN1KMT2ACYP3A4ALDH1A1HTR1A
SCHEMBL29324429 0.84 MEN1 (0.48) MEN1KMT2ACYP3A4ALDH1A1HTR1A
SCHEMBL5955654 0.78 ADAM17 (0.58) CYP3A4ALDH1A1L3MBTL1ADAM17
SCHEMBL4079920 0.78 MEN1 (0.54) MEN1KMT2ACYP3A4ACHEALDH1A1
SCHEMBL12676327 0.78 MEN1 (0.48) MEN1KMT2AALDH1A1HTR1ADRD4
SCHEMBL29630709 0.78 ACHE (0.48) CYP3A4ACHEDRD4
SCHEMBL11923833 0.76 MEN1 (0.70) MEN1KMT2ACYP3A4ACHEALDH1A1
SCHEMBL28644853 0.76 LRRK2 (0.42) MEN1KMT2ADRD3ADAM17
SCHEMBL10200126 0.75 KMT2A (0.42) MEN1KMT2ACYP3A4ALDH1A1ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 — — US disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 — — US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 — — US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 — — 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 MEN1 1657/4885KMT2A 4253/4885CYP3A4 2754/4885

“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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