SCHEMBL7596958

SCHEMBL7596958

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HCAR3 P49019 1/20 0.39

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
SCHEMBL7593005 0.95 ALDH1A1 (0.43) KDM4EALDH1A1LMNACYP1A2CYP3A4
SCHEMBL7596218 0.93 LMNA (0.43) KDM4ELMNAMEN1KMT2AMAPT
SCHEMBL7593567 0.89 RAB9A (0.37) KDM4EALDH1A1LMNACYP1A2CYP3A4
SCHEMBL7596229 0.87 KMT2A (0.42) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL7593569 0.87 RAB9A (0.54) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL7598810 0.85 RAB9A (0.56) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL7597829 0.84 RAB9A (0.51) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL7592927 0.84 RAB9A (0.43) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL7590650 0.84 HDAC3 (0.44) KDM4EALDH1A1LMNACYP1A2CYP3A4
SCHEMBL7594505 0.83 SMN1; SMN2 (0.41) KDM4EALDH1A1LMNAPOLBMEN1

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 KDM4E 2132/4885ALDH1A1 487/4885LMNA 225/4885

“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.