SCHEMBL3611368

SCHEMBL3611368

O=[N+]([O-])c1c(OCc2ccccc2)ccc(Br)c1C=CN1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPD P32754 4/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP19A1 P11511 1/20 0.38
APP P05067 3/20 0.38
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.38
MGMT P16455 2/20 0.37
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37

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
SCHEMBL3611364 1.00 POLB (0.49) POLBMAPTNPC1HPGDRAB9A
SCHEMBL4020681 0.94 POLB (0.45) POLBMAPTNPC1HPGDRAB9A
SCHEMBL4020683 0.94 POLB (0.45) POLBMAPTNPC1HPGDRAB9A
SCHEMBL4014596 0.89 POLB (0.43) POLBMAPTNPC1HPGDRAB9A
SCHEMBL4014590 0.89 POLB (0.43) POLBMAPTNPC1HPGDRAB9A
SCHEMBL27750368 0.82 RAB9A (0.45) POLBMAPTNPC1HPGDRAB9A
SCHEMBL595211 0.82 MCOLN3 (0.41) POLBMAPTNPC1RAB9ALMNA
SCHEMBL595210 0.82 MCOLN3 (0.41) POLBMAPTNPC1RAB9ALMNA
SCHEMBL8026962 0.81 MEN1 (0.47) POLBMAPTNPC1HPGDRAB9A
SCHEMBL860576 0.81 MEN1 (0.47) POLBMAPTNPC1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046741-B1 INDOLES AS 5-HT6 MODULATORS PROXIMAGEN LTD (GB) 2012-10-31 EP disclosed
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US disclosed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US 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-20080032968-A1 New compounds HTR6, HTR1B, HTR1A POLB 3884/4885MAPT 1591/4885NPC1 678/4885

“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.