SCHEMBL22821714

SCHEMBL22821714

O=c1cc(-c2cc(O)ccc2[N+](=O)[O-])oc2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.74
▸ LMNA P02545 2/20 0.74
▸ MEN1 O00255 5/20 0.65
▸ KMT2A Q03164 5/20 0.65
▸ HPGD P15428 5/20 0.65
▸ KDM4E B2RXH2 4/20 0.65
▸ CYP3A4 P08684 2/20 0.65
▸ CYP2C9 P11712 2/20 0.65
▸ CYP2C19 P33261 2/20 0.65
▸ NPC1 O15118 4/20 0.57
▸ TNKS O95271 3/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ POLB P06746 3/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ BCHE P06276 1/20 0.57
▸ ACHE P22303 1/20 0.57
▸ AKR1C3 P42330 1/20 0.57
▸ AKR1C2 P52895 1/20 0.57
▸ AKR1C1 Q04828 1/20 0.57

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
SCHEMBL311795 0.90 ALDH1A1 (0.74) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL1459318 0.85 ALDH1A1 (1.00) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL22806598 0.81 ALDH1A1 (0.75) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL22806434 0.81 ALDH1A1 (0.65) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL22821671 0.81 ALDH1A1 (0.65) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL16670860 0.81 HPGD (0.81) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL29370223 0.81 HPGD (0.81) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL4650047 0.79 HPGD (1.00) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL22806443 0.79 ALDH1A1 (0.65) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL22806648 0.79 HPGD (0.72) ALDH1A1LMNAMEN1KMT2AHPGD

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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