SCHEMBL6202045

SCHEMBL6202045

COc1cc2c(cc1OC)-c1c(c3cc(OCCN4CCCCC4)ccc3n1C)C2=O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.55
HTR2A P28223 2/20 0.54
HTR2C P28335 2/20 0.54
HTR2B P41595 1/20 0.54
ACHE P22303 3/20 0.52
HRH3 Q9Y5N1 2/20 0.48
KDR P35968 1/20 0.47
MAOB P27338 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
SCHEMBL7235162 0.85 KMT2A (0.55) ESR1HTR2AHTR2CHTR2BACHE
Hydrochloric Acid SCHEMBL7235158 0.85 KMT2A (0.57) ESR1HTR2AHTR2CHTR2BACHE
Hydrochloric Acid SCHEMBL7235165 0.85 KMT2A (0.57) ESR1HTR2AHTR2CHTR2BACHE
SCHEMBL6203630 0.79 PARP1 (0.52) ESR1ACHEHRH3KDRMAOB
Hydrochloric Acid SCHEMBL7227956 0.78 PARP1 (0.52) ESR1ACHEHRH3
SCHEMBL6203624 0.78 TLR8 (0.53) ESR1ACHEHRH3MAOB
Hydrochloric Acid SCHEMBL7226820 0.77 TLR8 (0.52) ESR1ACHE
SCHEMBL1793194 0.77 SIGMAR1 (0.57) ACHEHRH3MAOB
SCHEMBL1793752 0.76 KDM4E (0.57) HRH3
SCHEMBL1795765 0.75 SIGMAR1 (0.56) HRH3MAOB

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 1495/4885HTR2A 122/4885HTR2C 145/4885

“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.