SCHEMBL6781601

SCHEMBL6781601

O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1-c1ccccc1)c1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.64
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 6/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ MAPK1 P28482 2/20 0.43

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
SCHEMBL6774316 0.84 ALDH1A1 (0.51) TP53KMT2AALDH1A1TDP1HTT
SCHEMBL6774393 0.82 TSHR (0.47) TP53L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL6780637 0.81 LMNA (0.46) TP53KMT2AKDM4EALDH1A1TDP1
SCHEMBL6783823 0.79 ALDH1A1 (0.47) TP53L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL6785117 0.79 TSHR (0.49) TP53L3MBTL1MEN1KMT2AKDM4E
SCHEMBL6777578 0.77 ALDH1A1 (0.54) TP53ALDH1A1LMNA
SCHEMBL6778233 0.74 HTT (0.51) KMT2AALDH1A1HTTMAPTNPSR1
SCHEMBL11829535 0.69 ALDH1A1 (0.65) TP53L3MBTL1MEN1KMT2AKDM4E
SCHEMBL6785514 0.65 LTB4R2 (0.46) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3134710 0.65 ALDH1A1 (0.57) TP53L3MBTL1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6780883-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS; RESTENOSIS; DIETETICS WARNER-LAMBERT COMPANY 2004-08-24 — — US claimed
US-20020156281-A1 Amide inhibitors of microsomal triglyceride transfer protein BOOTH RICHARD JOHN (US) 2002-10-24 — — US claimed
US-6780883-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS; RESTENOSIS; DIETETICS WARNER-LAMBERT COMPANY 2004-08-24 — — US disclosed
US-20020156281-A1 Amide inhibitors of microsomal triglyceride transfer protein BOOTH RICHARD JOHN (US) 2002-10-24 — — 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-20020156281-A1 Amide inhibitors of microsomal triglyceride transfer protein CETP, MTTP, LCAT TP53 4800/4885L3MBTL1 2328/4885MEN1 4612/4885

“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