SCHEMBL6396302

SCHEMBL6396302

O=C(Nc1ccc([N+](=O)[O-])cc1)OCc1cc(=O)c(OCCCCCn2ccc3ccccc32)co1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
APLNR P35414 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6396758 0.91 L3MBTL1 (0.41) L3MBTL1
SCHEMBL6393899 0.89 MCL1 (0.40) L3MBTL1MEN1NPC1RAB9AKMT2A
SCHEMBL6396542 0.82 CDK4 (0.40) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL6398150 0.79 EPHX1 (0.42) LMNASMN1; SMN2
SCHEMBL6401232 0.79 CDK4 (0.49) MEN1NPC1RAB9AKMT2A
SCHEMBL6396585 0.78 KMT2A (0.41) KMT2A
SCHEMBL6401223 0.78 CDK4 (0.48) MEN1NPC1RAB9AKMT2ALMNA
SCHEMBL6402252 0.77 ELANE (0.43) MAPTAPLNRSMN1; SMN2
SCHEMBL6397950 0.77 ELANE (0.40)
SCHEMBL6395342 0.76 LMNA (0.46) ALDH1A1LMNASMN1; SMN2

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-20050054629-A1 Compounds and methods of treating cell proliferative diseases EXONHIT THERAPEUTICS SA (FR) 2005-03-10 US claimed
US-20050054629-A1 Compounds and methods of treating cell proliferative diseases EXONHIT THERAPEUTICS SA (FR) 2005-03-10 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-20050054629-A1 Compounds and methods of treating cell proliferative diseases MKI67, CCNC, PCNA L3MBTL1 3588/4885MEN1 482/4885NPC1 151/4885

“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.