SCHEMBL4220016

SCHEMBL4220016

CC(=O)Nc1cccc(OCc2ccccc2C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.61
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
LMNA P02545 2/20 0.57
CTSV O60911 1/20 0.54
CTSL P07711 1/20 0.54
AHR P35869 1/20 0.51
NR1H4 Q96RI1 1/20 0.50
FDPS P14324 1/20 0.50
MAPK1 P28482 2/20 0.49
NR4A2 P43354 1/20 0.49
TP53 P04637 2/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL7829074 0.89 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10600243 0.83 RAB9A (0.60) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10598018 0.83 RAB9A (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10599853 0.82 MEN1 (0.79) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2312527 0.82 MEN1 (0.63) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11618784 0.81 NR4A2 (0.53) NPC1RAB9ALMNACTSVCTSL
SCHEMBL4452776 0.79 HIF1A (0.61) NPC1RAB9ACTSVCTSLNR4A2
SCHEMBL7831938 0.79 NPC1 (0.54) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1368181 0.79 TP53 (0.63) NPC1RAB9ASMN1; SMN2NR4A2TP53
SCHEMBL5753134 0.79 MAPK1 (0.57) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105327-A1 Dibenzocycloheptane compounds and pharmaceuticals containing these compounds MERCKLE GMBH (DE) 2009-04-23 US disclosed
EP-1881968-A2 DIBENZOCYCLOHEPTANE COMPOUNDS AND PHARMACEUTICALS CONTAINING THESE COMPOUNDS MERCKLE GMBH (DE) 2008-01-30 EP disclosed
WO-2006120010-A2 DIBENZOCYCLOHEPTANE COMPOUNDS AND PHARMACEUTICALS CONTAINING THESE COMPOUNDS MERCKLE GMBH (DE) 2006-11-16 WO disclosed
EP-0798288-B1 TRICICLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2001-05-16 EP disclosed
US-5726325-A FOR TREATING URINARY INCONTINENCE KYOWA HAKKO KOGYO CO., LTD. (JP) 1998-03-10 US disclosed
CN-1168133-A Tricyclic compounds KYOWA HAKKO KOGYO KK (JP) 1997-12-17 CN disclosed
EP-0798288-A1 TRICICLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-10-01 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-20090105327-A1 Dibenzocycloheptane compounds and pharmaceuticals containing these compounds BDKRB1, IL1R1, IL1A NPC1 668/4885RAB9A 1200/4885SMN1; SMN2 4482/4885

“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.