SCHEMBL6200538

SCHEMBL6200538

O=Cc1cc(OCCN2CCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
HTT P42858 1/20 0.64
LTA4H P09960 4/20 0.56
PTGS2 P35354 3/20 0.56
PTGS1 P23219 2/20 0.56
ALDH1A1 P00352 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 1/20 0.52
PSMB1 P20618 2/20 0.50
PSMB5 P28074 2/20 0.50
PSMB2 P49721 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HRH3 Q9Y5N1 5/20 0.49
KCNH2 Q12809 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL6201365 0.99 KDM4E (0.63) KDM4EMEN1KMT2AHTTLTA4H
Hydrochloric Acid SCHEMBL4320651 0.87 KDM4E (0.64) KDM4EMEN1KMT2AHTTLTA4H
SCHEMBL954152 0.84 KDM4E (0.70) KDM4EMEN1KMT2AHTTLTA4H
SCHEMBL571755 0.82 KDM4E (0.66) KDM4EMEN1KMT2AHTTLTA4H
SCHEMBL4724461 0.81 KDM4E (0.65) KDM4EMEN1KMT2AHTTLTA4H
SCHEMBL1962920 0.81 KDM4E (0.67) KDM4EMEN1KMT2AHTTLTA4H
SCHEMBL2735456 0.80 KDM4E (0.63) KDM4EMEN1KMT2AHTTLTA4H
SCHEMBL1623288 0.80 KDM4E (0.62) KDM4EMEN1KMT2AHTTLTA4H
SCHEMBL1964818 0.79 KDM4E (0.66) KDM4EMEN1KMT2AHTTLTA4H
SCHEMBL7318387 0.79 KDM4E (0.46) KDM4EMEN1KMT2AHTTALDH1A1

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
EP-1266887-B1 Indenoindoline derivatives, their process of preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-08-17 EP disclosed
US-6627650-B2 An isomer thereof, or an addition salt thereof with a pharmaceutically acceptable acid or base. Medicinal products containing the same which are useful as anti- cancer agents. LES LABORATOIRES SERVIER (FR) 2003-09-30 US disclosed
US-20030125369-A1 Indeno(1,2-b)indole oximes or indeno(1,2-b) indole hydrazones used as anticancer agent LES LABORATOIRES SERVIER (FR) 2003-07-03 US disclosed
EP-1266887-A2 Indenoindoline derivatives, their process of preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2002-12-18 EP 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-20030125369-A1 Indeno(1,2-b)indole oximes or indeno(1,2-b) indole hydrazones used as anticancer agent IDO1, IDO2, AHR KDM4E 2363/4885MEN1 3175/4885KMT2A 1021/4885

“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.