SCHEMBL6830698

SCHEMBL6830698

O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.60
MEN1 O00255 8/20 0.60
NPC1 O15118 3/20 0.60
MAPT P10636 8/20 0.53
ALDH1A1 P00352 7/20 0.53
POLB P06746 2/20 0.53
THRB P10828 1/20 0.53
LMNA P02545 4/20 0.53
RAB9A P51151 3/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MGAM O43451 1/20 0.52
GAA P10253 1/20 0.52
SI P14410 1/20 0.52
STAT1 P42224 1/20 0.52
RECQL P46063 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL6818580 0.84 ALDH1A1 (0.56) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6835903 0.76 ALDH1A1 (0.70) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL6822791 0.75 CYP1A2 (0.56) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6348594 0.75 AKR1C2 (0.56) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL1317292 0.75 KMT2A (0.66) KMT2AMEN1NPC1MAPTALDH1A1
Hydrochloric Acid SCHEMBL3452251 0.73 KMT2A (0.64) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL6351984 0.73 AKR1C2 (0.59) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL6352508 0.73 AKR1C2 (0.70) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL6349509 0.73 AKR1C2 (0.55) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL22720190 0.72 CTSV (0.68) KMT2AMEN1NPC1MAPTALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 KMT2A 2853/4885MEN1 4132/4885NPC1 3778/4885

“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.