SCHEMBL4739374

SCHEMBL4739374

O=C(O)c1cc(-c2ccc3ncccc3c2)cc2c1OCC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.59
NPC1 O15118 2/20 0.48
POLB P06746 2/20 0.48
RAB9A P51151 1/20 0.48
DYRK1A Q13627 1/20 0.44
GSK3B P49841 1/20 0.43
PFKFB3 Q16875 1/20 0.42
AR P10275 1/20 0.39
PIK3CA P42336 2/20 0.38
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
MET P08581 2/20 0.38
ADORA2A P29274 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
IL1B P01584 1/20 0.38
CCNC P24863 1/20 0.38

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
SCHEMBL4736575 0.85 MCL1 (0.60) MCL1NPC1POLBRAB9ADYRK1A
SCHEMBL4738863 0.85 PIK3CA (0.48) MCL1PIK3CAAKR1C3AKR1C2MAP4K4
SCHEMBL4734718 0.83 ACMSD (0.54) MCL1PIK3CAXDHSLC22A12MEN1
SCHEMBL4647558 0.81 NPC1 (0.47) MCL1NPC1POLBRAB9ADYRK1A
SCHEMBL4735248 0.77 DHODH (0.46) XDHSLC22A12
SCHEMBL4785932 0.76 ACMSD (0.49) MCL1XDHSLC22A12AKR1C3AKR1C2
SCHEMBL4735319 0.75 XDH (0.48) MCL1XDHSLC22A12
SCHEMBL4733740 0.74 MCL1 (0.49) MCL1NPC1RAB9AXDHSLC22A12
SCHEMBL4733776 0.74 PARP1 (0.52) NPC1RAB9AXDHSLC22A12AKR1C2
SCHEMBL4736983 0.74 XDH (0.44) NPC1RAB9AXDHSLC22A12AKR1C2

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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US claimed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 MCL1 3416/4885NPC1 2801/4885POLB 3727/4885

“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.