SCHEMBL17833834

SCHEMBL17833834

O=C1c2cccc3c(N4CCC4)ccc(c23)C(=O)N1CC1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 4/20 0.69
MEN1 O00255 10/20 0.60
KMT2A Q03164 10/20 0.60
MAPT P10636 5/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
RAB9A P51151 2/20 0.60
MAPK1 P28482 2/20 0.60
NPC1 O15118 2/20 0.60
AVPR1A P37288 1/20 0.60
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
HTT P42858 4/20 0.50
USP2 O75604 3/20 0.50
LMNA P02545 3/20 0.50
TLR9 Q9NR96 2/20 0.50
POLB P06746 1/20 0.50
BRD1 O95696 3/20 0.49
BRPF1 P55201 3/20 0.49
TAF1 P21675 2/20 0.49

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
SCHEMBL17833835 0.92 CYP1B1 (0.62) CYP1B1MEN1KMT2AMAPTL3MBTL1
SCHEMBL7130986 0.86 CYP1B1 (0.55) CYP1B1MEN1KMT2AMAPTL3MBTL1
SCHEMBL7129139 0.85 CYP1B1 (0.54) CYP1B1MEN1KMT2AMAPTL3MBTL1
SCHEMBL7123906 0.85 CYP1B1 (0.54) CYP1B1MEN1KMT2AMAPTL3MBTL1
SCHEMBL7128627 0.85 BRD1 (0.54) CYP1B1MEN1KMT2AMAPTL3MBTL1
SCHEMBL7120096 0.85 CYP1B1 (0.54) CYP1B1MEN1KMT2AMAPTL3MBTL1
SCHEMBL7128156 0.85 CYP1B1 (0.53) CYP1B1MEN1KMT2AMAPTL3MBTL1
SCHEMBL7130538 0.84 BRD1 (0.55) CYP1B1MEN1KMT2AMAPTL3MBTL1
SCHEMBL7127278 0.83 MEN1 (0.51) CYP1B1MEN1KMT2AMAPTL3MBTL1
SCHEMBL7128313 0.82 MEN1 (0.53) CYP1B1MEN1KMT2AMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160169850-A1 SENSOR MOLECULE UNIV MALTA (MT) 2016-06-16 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-20160169850-A1 SENSOR MOLECULE QSOX1, AOX1, SCO2 CYP1B1 208/4885MEN1 4300/4885KMT2A 4705/4885

“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.