SCHEMBL18655357

SCHEMBL18655357

CNc1c2cc(F)ccc2nc2c1ccc1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.49
KDM1A O60341 1/20 0.43
HDAC3 O15379 1/20 0.42
ACHE P22303 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MAPT P10636 4/20 0.41
MAPK1 P28482 3/20 0.41
CYP1A2 P05177 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL18655358 0.90 MAOA (0.43) MAOAKDM1AHDAC3ACHEHDAC4
SCHEMBL18655365 0.84 MAOA (0.50) MAOAKDM1AMAPTMAPK10L3MBTL1
SCHEMBL18655363 0.83 CCR1 (0.41) KDM1AMAPTTP53CYP3A4SMN1; SMN2
SCHEMBL18655366 0.81 HDAC3 (0.40) KDM1AHDAC3ACHEHDAC4HDAC1
SCHEMBL18650739 0.80 L3MBTL1 (0.47) MAOAKDM1AMAPTMAPK1CYP1A2
SCHEMBL5478013 0.79 RAD52 (0.57) NPC1RAB9AKMT2ASCN9A
SCHEMBL18655362 0.78 KMT2A (0.49) MAOAACHEMAPTMAPK1CYP1A2
SCHEMBL18655364 0.73 ADORA2A (0.44) MAPTTP53CYP3A4SMN1; SMN2L3MBTL1
SCHEMBL18655361 0.73 MAPT (0.39) KDM1AMAPTMAPK1CYP1A2NPC1
SCHEMBL18655359 0.71 ACHE (0.45) ACHEMAPTMAPK1CYP1A2NPC1

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 MAOA 2459/4885KDM1A 3582/4885HDAC3 396/4885

“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.