SCHEMBL6364595

SCHEMBL6364595

Cn1c(C(=O)CCCOCc2ccccc2)cc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.54
▸ IDO1 P14902 1/20 0.52
▸ SRD5A2 P31213 2/20 0.50
▸ SLC9A1 P19634 1/20 0.47
▸ CTSL P07711 1/20 0.45
▸ CTSS P25774 1/20 0.45
▸ SRD5A1 P18405 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ CCR2 P41597 1/20 0.43
▸ ACHE P22303 1/20 0.42

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
SCHEMBL22258127 0.78 MCL1 (0.60) MCL1IDO1SRD5A2SLC9A1CTSL
SCHEMBL15979629 0.77 MCL1 (0.64) MCL1IDO1SLC9A1MEN1NPC1
SCHEMBL13783988 0.75 MCL1 (0.54) MCL1IDO1SLC9A1MEN1NPC1
SCHEMBL14380392 0.75 MCL1 (0.54) MCL1IDO1SLC9A1NPC1RAB9A
SCHEMBL27467673 0.75 MCL1 (0.74) MCL1IDO1SLC9A1MEN1NPC1
SCHEMBL13783939 0.74 HDAC1 (0.74) MCL1IDO1SLC9A1HDAC1HDAC2
SCHEMBL6488590 0.73 TDP1 (0.61) NPC1RAB9AKMT2AHDAC1HDAC2
SCHEMBL10031558 0.73 MCL1 (0.67) MCL1IDO1SLC9A1MEN1NPC1
SCHEMBL17529434 0.73 MCL1 (0.57) MCL1IDO1SLC9A1MEN1NPC1
SCHEMBL543078 0.72 ALDH1A1 (0.53) —

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-20050070591-A1 Indole derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-03-31 — — US disclosed
EP-1464645-A1 INDOLE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-10-06 — — 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-20050070591-A1 Indole derivative TPH1, IDO1, RBX1 MCL1 1979/4885IDO1 2/4885SRD5A2 179/4885

“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.

Send feedback