SCHEMBL18165216

SCHEMBL18165216

c1ccc2c3c(ccc2c1)Sc1c(ccc2ccccc12)N3

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
TDP1 Q9NUW8 3/20 0.59
RAB9A P51151 3/20 0.59
GAA P10253 3/20 0.59
NOX1 Q9Y5S8 3/20 0.59
NPC1 O15118 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2A6 P11509 1/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.36
CYP1B1 Q16678 1/20 0.36
HPRT1 P00492 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34

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
SCHEMBL30874982 0.81 MAPT (0.65) MAPTTDP1RAB9AGAANOX1
SCHEMBL29379406 0.81 NOX1 (0.55) MAPTTDP1RAB9AGAANOX1
SCHEMBL1393346 0.81 NOX1 (0.69) MAPTTDP1RAB9AGAANOX1
SCHEMBL26797 0.81 NOX1 (0.55) MAPTTDP1RAB9AGAANOX1
SCHEMBL30704751 0.81 NOX1 (0.69) MAPTTDP1RAB9AGAANOX1
Hydrochloric Acid SCHEMBL20994584 0.79 NOX1 (0.53) MAPTTDP1RAB9AGAANOX1
Hydrochloric Acid SCHEMBL1133655 0.79 NOX1 (0.53) MAPTTDP1RAB9AGAANOX1
SCHEMBL26612879 0.79 ALDH1A1 (0.52) MAPTTDP1RAB9AGAANOX1
SCHEMBL1796145 0.79 ALDH1A1 (0.52) MAPTTDP1RAB9AGAANOX1
SCHEMBL20444678 0.75 NOX1 (0.45) MAPTTDP1RAB9AGAANOX1

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-20160308144-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-10-20 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-20160308144-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME CRY1, CCNL2, CCNE2 MAPT 1307/4885TDP1 987/4885RAB9A 3514/4885

“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.