SCHEMBL7596218

SCHEMBL7596218

CCCC(=O)Nc1c([N+](=O)[O-])ccc(C(=O)O)c1CC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
FBP1 P09467 2/20 0.41
HCAR3 P49019 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 2/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38

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
SCHEMBL7596958 0.93 KDM4E (0.46) LMNAMAPTMEN1KMT2AKDM4E
SCHEMBL7593005 0.90 ALDH1A1 (0.43) LMNAMAPTMEN1HPGDKMT2A
SCHEMBL7596229 0.90 KMT2A (0.42) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7598810 0.87 RAB9A (0.56) LMNAMAPTHTTMEN1KMT2A
SCHEMBL7593567 0.86 RAB9A (0.37) LMNAKDM4EFBP1HCAR3L3MBTL1
SCHEMBL7594505 0.85 SMN1; SMN2 (0.41) LMNAMAPTHTTMEN1HPGD
SCHEMBL7593575 0.85 KDM4C (0.42) MAPTHTTMEN1HPGDKMT2A
SCHEMBL7594876 0.84 ALDH1A1 (0.41) LMNAMAPTHTTMEN1HPGD
SCHEMBL7593569 0.84 RAB9A (0.54) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7910018 0.84 L3MBTL1 (0.49) LMNAMAPTMEN1HPGDKMT2A

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-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2002-06-27 US disclosed
US-6348032-B1 POTENT COMPOUNDS THAT INDUCE APOPTOSIS IN NEOPLASTIC CELLS (BUT NOT SUBSTANTIALLY IN NORMAL CELLS), WITHOUT SUBSTANTIALLY INHIBITING PGE-2. CELL PATHWAYS, INC. 2002-02-19 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-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 LMNA 225/4885MAPT 4390/4885HTT 4075/4885

“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.