SCHEMBL18655361

SCHEMBL18655361

CNc1c2ccc(F)cc2nc2c1cnc1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
MAPK1 P28482 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CASP1 P29466 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK10 P53779 1/20 0.39
CASP7 P55210 1/20 0.39
LRRK2 Q5S007 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HCRTR1 O43613 1/20 0.37
NUDT1 P36639 1/20 0.36
KDM1A O60341 1/20 0.35
KDM4E B2RXH2 3/20 0.35

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
SCHEMBL18655366 0.90 HDAC3 (0.40) MAPTMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL18655356 0.86 LRRK2 (0.47) MAPTMAPK1LRRK2MEN1KMT2A
SCHEMBL18655358 0.82 MAOA (0.43) MAPTMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL18655364 0.74 ADORA2A (0.44) MAPTSMN1; SMN2TP53CYP3A4KDM4E
SCHEMBL18655357 0.73 MAOA (0.49) MAPTMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL18655368 0.70 POLB (0.48) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL18655365 0.69 MAOA (0.50) MAPTMAPK10KMT2ANUDT1KDM1A
SCHEMBL5410460 0.67 KDM1A (0.66) MAPTNPC1RAB9ASMN1; SMN2CASP1
SCHEMBL22333771 0.67 KDM4E (0.50) MAPTNPC1RAB9ASMN1; SMN2MEN1
Iodide SCHEMBL17187186 0.66 KDM1A (0.63) MAPTNPC1RAB9ASMN1; SMN2CASP1

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-20170081351-A1 Design, Synthesis, and Biological Activity of Platinum-benz[c]acridine Hybrid Agents and Methods Associated Therewith WAKE FOREST UNIVERSITY 2017-03-23 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-20170081351-A1 Design, Synthesis, and Biological Activity of Platinum-benz[c]acridine Hybrid Agents and Methods Associated Therewith ACR, TP53, MCL1 MAPT 4258/4885MAPK1 1982/4885NPC1 3469/4885

“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.