SCHEMBL18655366

SCHEMBL18655366

CNc1c2cc(F)ccc2nc2c1cnc1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.40
ACHE P22303 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HCRTR1 O43613 1/20 0.40
MAPT P10636 5/20 0.39
MAPK1 P28482 3/20 0.39
TP53 P04637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL18655361 0.90 MAPT (0.39) MEN1KMT2AHCRTR1MAPTMAPK1
SCHEMBL18655356 0.86 LRRK2 (0.47) MEN1KMT2AMAPTMAPK1KDM4E
SCHEMBL18655357 0.81 MAOA (0.49) HDAC3ACHEHDAC4HDAC1HDAC7
SCHEMBL10734072 0.73 PARP1 (0.38) MAPTTP53SMN1; SMN2THRBPIK3CD
SCHEMBL18655363 0.73 CCR1 (0.41) MAPTTP53SMN1; SMN2CYP3A4KDM4E
SCHEMBL18655358 0.71 MAOA (0.43) HDAC3ACHEHDAC4HDAC1HDAC7
SCHEMBL18655368 0.70 POLB (0.48) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL28864525 0.69 KDM4E (0.62) MEN1KMT2AHCRTR1MAPTMAPK1
SCHEMBL27759215 0.69 KDM4E (0.62) MEN1KMT2AHCRTR1MAPTMAPK1
SCHEMBL5410460 0.67 KDM1A (0.66) ACHEKMT2AMAPTNPC1RAB9A

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 HDAC3 396/4885ACHE 1624/4885HDAC4 497/4885

“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.