SCHEMBL6099743

SCHEMBL6099743

O=C(O)N1CCc2ccc3ccn(CCOc4c(Br)cc(Br)c5cccnc45)c3c2CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.51
ALDH1A1 P00352 6/20 0.51
HTT P42858 5/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
HPGD P15428 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
RXFP1 Q9HBX9 3/20 0.47
NPSR1 Q6W5P4 6/20 0.44
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
POLB P06746 1/20 0.38
TP53 P04637 3/20 0.34
HSP90AA1 P07900 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
ALOX15 P16050 2/20 0.34
CYP2C19 P33261 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL6099152 0.89 ALDH1A1 (0.47) KDM4EALDH1A1HTTMAPTLMNA
SCHEMBL6096453 0.87 HIF1A (0.48) KDM4EALDH1A1HTTMAPTLMNA
SCHEMBL6099897 0.84 KDM4E (0.41) KDM4EALDH1A1HTTMAPTLMNA
SCHEMBL6097342 0.83 KDM4E (0.48) KDM4EALDH1A1HTTMAPTLMNA
SCHEMBL6097732 0.77 SMN1; SMN2 (0.45) KDM4EALDH1A1HTTLMNAHPGD
SCHEMBL6096543 0.76 ALDH1A1 (0.45) KDM4EALDH1A1HTTMAPTLMNA
SCHEMBL6095694 0.73 TDP1 (0.42) KDM4EALDH1A1MAPTLMNATDP1
SCHEMBL6097566 0.72
SCHEMBL6099163 0.72 MCL1 (0.43)
SCHEMBL6096847 0.72 ALDH1A1 (0.44) KDM4EALDH1A1HTTMAPTHPGD

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
US-7022694-B2 Indoles and indolines having 5-HT activity PHARMACIA & UPJOHN COMPANY (US) 2006-04-04 US disclosed
EP-1406902-A1 HEXAHYDROAZEPINO(4,5-G)INDOLES AND INDOLINES AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2004-04-14 EP disclosed
US-20030060458-A1 Indoles and indolines having 5-HT activity PHARMACIA & UPJOHN COMPANY 2003-03-27 US disclosed
WO-2003006466-A1 HEXAHYDROAZEPINO (4, 5-G) INDOLES AND INDOLINES AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2003-01-23 WO 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-20030060458-A1 Indoles and indolines having 5-HT activity TPH1, HTR5A, TPH2 KDM4E 1450/4885ALDH1A1 479/4885HTT 543/4885

“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.