SCHEMBL22806443

SCHEMBL22806443

CCOc1ccc([N+](=O)[O-])c(-c2cc(=O)c3ccccc3o2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.65
▸ LMNA P02545 3/20 0.65
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ GAA P10253 1/20 0.58
▸ GABRP O00591 1/20 0.50
▸ GABRD O14764 1/20 0.50
▸ GABRA1 P14867 1/20 0.50
▸ GABRB1 P18505 1/20 0.50
▸ GABRG2 P18507 1/20 0.50
▸ GABRB3 P28472 1/20 0.50
▸ GABRA5 P31644 1/20 0.50
▸ GABRA3 P34903 1/20 0.50
▸ GABRA2 P47869 1/20 0.50
▸ GABRB2 P47870 1/20 0.50
▸ GABRA4 P48169 1/20 0.50
▸ GABRE P78334 1/20 0.50
▸ GABRA6 Q16445 1/20 0.50
▸ GABRG1 Q8N1C3 1/20 0.50
▸ GABRG3 Q99928 1/20 0.50

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
SCHEMBL22806598 0.87 ALDH1A1 (0.75) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL22821704 0.86 ALDH1A1 (0.61) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL22806146 0.81 HPGD (0.52) ALDH1A1LMNAMEN1KMT2AGABRP
SCHEMBL1459318 0.79 ALDH1A1 (1.00) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL22821714 0.79 ALDH1A1 (0.74) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL312354 0.78 ALDH1A1 (0.75) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL14707545 0.77 ABCB1 (0.74) ALDH1A1LMNAGAAGABRPGABRD
SCHEMBL21708269 0.74 MAPT (0.60) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL22821671 0.74 ALDH1A1 (0.65) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL7079968 0.72 MEN1 (0.64) ALDH1A1MEN1KMT2AGAATNKS

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-20220356162-A1 Heterocyclic Compounds as Lipoxygenase Inhibitors DR. REDDY'S INSTITUTE OF LIFE SCIENCES (IN) 2022-11-10 — — US disclosed
WO-2020255156-A1 HETEROCYCLIC COMPOUNDS AS LIPOXYGENASE INHIBITORS DR REDDY'S INSTITUTE OF LIFE SCIENCES (IN) 2020-12-24 — — WO disclosed
WO-2020255156-A1 HETEROCYCLIC COMPOUNDS AS LIPOXYGENASE INHIBITORS DR REDDY'S INSTITUTE OF LIFE SCIENCES (IN) 2020-12-24 — — 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-20220356162-A1 Heterocyclic Compounds as Lipoxygenase Inhibitors LTC4S, ALOX12, ALOX15B ALDH1A1 241/4885LMNA 602/4885MEN1 2990/4885

“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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