SCHEMBL22806434

SCHEMBL22806434

O=c1cc(-c2cc(O)c(I)cc2[N+](=O)[O-])oc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.65
▸ LMNA P02545 2/20 0.65
▸ AKR1C3 P42330 1/20 0.56
▸ AKR1C2 P52895 1/20 0.56
▸ AKR1C1 Q04828 1/20 0.56
▸ HPGD P15428 7/20 0.54
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ KDM4E B2RXH2 5/20 0.54
▸ CYP3A4 P08684 4/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ MAPT P10636 3/20 0.53
▸ ALOX15 P16050 3/20 0.53
▸ TP53 P04637 3/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ RECQL P46063 1/20 0.53

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
SCHEMBL22821671 0.86 ALDH1A1 (0.65) ALDH1A1LMNAAKR1C3AKR1C2AKR1C1
SCHEMBL22821714 0.81 ALDH1A1 (0.74) ALDH1A1LMNAAKR1C3AKR1C2AKR1C1
SCHEMBL311795 0.81 ALDH1A1 (0.74) ALDH1A1LMNAAKR1C3AKR1C2AKR1C1
SCHEMBL22806627 0.80 AKR1C3 (0.62) ALDH1A1LMNAAKR1C3AKR1C2AKR1C1
SCHEMBL1459318 0.79 ALDH1A1 (1.00) ALDH1A1LMNAAKR1C3AKR1C2AKR1C1
SCHEMBL7366127 0.76 FTO (0.73) ALDH1A1LMNAAKR1C3AKR1C2AKR1C1
SCHEMBL22806598 0.74 ALDH1A1 (0.75) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL312354 0.74 ALDH1A1 (0.75) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL312255 0.73 AKR1C3 (1.00) ALDH1A1LMNAAKR1C3AKR1C2AKR1C1
SCHEMBL1423180 0.73 HPGD (0.67) ALDH1A1LMNAAKR1C3AKR1C2AKR1C1

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 2 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

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 602/4885AKR1C3 73/4885

“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.

Send feedback