SCHEMBL3972848

SCHEMBL3972848

COC(=O)CC(NC(=O)c1cc(Br)ccc1N)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ TACR3 P29371 2/20 0.53
▸ DCAF1 Q9Y4B6 4/20 0.43
▸ MAPT P10636 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CTSA P10619 2/20 0.42
▸ ROCK2 O75116 2/20 0.42
▸ ROCK1 Q13464 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5927665 0.88 POLB (0.53) POLBMEN1KMT2ATACR3DCAF1
SCHEMBL4824242 0.88 TACR3 (0.53) POLBMEN1KMT2ATACR3DCAF1
SCHEMBL5926281 0.87 TACR3 (0.53) TACR3DCAF1CTSAROCK2ROCK1
SCHEMBL3998556 0.87 POLB (0.45) POLBMEN1KMT2ATACR3DCAF1
SCHEMBL3996956 0.87 POLB (0.45) POLBMEN1KMT2ATACR3DCAF1
SCHEMBL5926375 0.83 POLB (0.49) POLBMEN1KMT2ATACR3ALDH1A1
SCHEMBL5926215 0.82 POLB (0.50) POLBMEN1KMT2ATACR3ALDH1A1
SCHEMBL4824874 0.82 POLB (0.49) POLBMEN1KMT2ATACR3DCAF1
SCHEMBL5308017 0.81 MEN1 (0.58) POLBMEN1KMT2ATACR3ALDH1A1
SCHEMBL5926604 0.81 PTPN11 (0.47) POLBMEN1KMT2ATACR3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501538-B2 Aryl and heteroaryl compounds, compositions and methods of use TRANSTECH PHARMA, INC. (US) 2009-03-10 — — US disclosed
US-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use VTVX HOLDINGS I LLC 2005-03-03 — — US disclosed
WO-2005014532-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 — — 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-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use EPOR, HBG2, CYP2F1 POLB 2917/4885MEN1 4435/4885KMT2A 2042/4885

“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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