SCHEMBL3972194

SCHEMBL3972194

COC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(NCc2cccc3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ ELANE P08246 2/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ ATM Q13315 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ NPBWR1 P48145 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ LNPEP Q9UIQ6 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ TACR1 P25103 1/20 0.42
▸ TACR3 P29371 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GFER P55789 1/20 0.41

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
SCHEMBL3972197 1.00 GAA (0.48) GAARAB9AELANEHDAC1HDAC6
SCHEMBL3969899 0.87 RAB9A (0.51) GAARAB9AELANEHDAC1HDAC6
SCHEMBL3969892 0.87 RAB9A (0.51) GAARAB9AELANEHDAC1HDAC6
SCHEMBL3979314 0.86 TACR3 (0.44) ELANEHDAC1HDAC6ABCG2ALDH1A1
SCHEMBL3979310 0.86 TACR3 (0.44) ELANEHDAC1HDAC6ABCG2ALDH1A1
SCHEMBL3979320 0.81 PYGL (0.45) ELANEHDAC1HDAC6ABCG2MEN1
SCHEMBL3979317 0.81 PYGL (0.45) ELANEHDAC1HDAC6ABCG2MEN1
SCHEMBL13899767 0.78 KLKB1 (0.45) —
SCHEMBL3975599 0.75 LNPEP (0.60) GAARAB9AHDAC1HDAC6ABCG2
SCHEMBL3975596 0.75 LNPEP (0.60) GAARAB9AHDAC1HDAC6ABCG2

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 GAA 239/4885RAB9A 2196/4885ELANE 594/4885

“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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