SCHEMBL4829703

SCHEMBL4829703

COc1ccc(CC(N)=O)cc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.49
▸ MAPT P10636 5/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HTT P42858 1/20 0.46
▸ TTR P02766 1/20 0.46
▸ PDE7A Q13946 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46

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
SCHEMBL4829716 0.82 KDM4E (0.51) LMNAMAPTALDH1A1MAPK1MEN1
SCHEMBL4832008 0.80 TDP1 (0.48) LMNAMAPTALDH1A1MAPK1MEN1
SCHEMBL3838071 0.79 LOXL2 (0.54) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL2742576 0.79 ALDH1A1 (0.62) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL9827937 0.78 KMT2A (0.58) LMNAMAPTALDH1A1MAPK1MEN1
SCHEMBL5065594 0.76 CYP1A2 (0.50) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL2673969 0.76 LOXL2 (0.59) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL3796739 0.76 AKR1C3 (0.55) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL16189625 0.74 SMN1; SMN2 (0.66) LMNAMAPTALDH1A1MAPK1MEN1
Hydrochloric Acid SCHEMBL11771000 0.74 IDO1 (0.57) LMNAMAPTALDH1A1MEN1KMT2A

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-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 — — US disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 — — US disclosed
WO-2005014534-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-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO LMNA 3037/4885MAPT 3605/4885ALDH1A1 711/4885

“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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