SCHEMBL6203731

SCHEMBL6203731

C=CCn1c2c(c3cc(OCCN(C)C)ccc31)C(=O)c1cc(OC)c(OC)cc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.47
KDR P35968 3/20 0.47
HPGD P15428 1/20 0.39
TOP2A P11388 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
MAOB P27338 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
HCRTR1 O43613 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FGFR1 P11362 1/20 0.35
SRC P12931 1/20 0.35
PDE4B Q07343 1/20 0.35

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
SCHEMBL6503691 0.80 TDP1 (0.40) HPGDTDP1HCRTR1ATML3MBTL1
SCHEMBL6200718 0.78 L3MBTL1 (0.47) HPGDTDP1HCRTR1ATML3MBTL1
SCHEMBL6495062 0.73 WEE1 (0.50) ESR1KDRTDP1SRC
SCHEMBL7234048 0.72 TOP1 (0.48) HPGDTDP1HCRTR1ATML3MBTL1
SCHEMBL7234051 0.72 TOP1 (0.48) HPGDTDP1HCRTR1ATML3MBTL1
SCHEMBL6203062 0.71 PARP1 (0.46) ESR1KDRHPGDTOP2APSEN1
Hydrochloric Acid SCHEMBL7235812 0.70 PARP1 (0.45) ESR1KDRHPGDTOP2APSEN1
SCHEMBL6202045 0.68 ESR1 (0.55) ESR1KDRMAOB
SCHEMBL29383852 0.65 ESR1 (0.58) ESR1KDRMAOB
SCHEMBL6504264 0.64 PTGDR2 (0.41) TDP1

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 ESR1 1495/4885KDR 1448/4885HPGD 194/4885

“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.