SCHEMBL18655358

SCHEMBL18655358

CNc1c2ccc(F)cc2nc2c1ccc1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
MAPT P10636 4/20 0.42
MAPK1 P28482 3/20 0.42
CYP1A2 P05177 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CASP1 P29466 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK10 P53779 1/20 0.42
CASP7 P55210 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
CYP2A6 P11509 1/20 0.37
MEN1 O00255 1/20 0.37
HCRTR1 O43613 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK14 Q16539 1/20 0.36

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
SCHEMBL18655357 0.90 MAOA (0.49) MAOAMAPTMAPK1CYP1A2NPC1
SCHEMBL18655365 0.85 MAOA (0.50) MAOAMAPTMAPK10L3MBTL1KMT2A
SCHEMBL18655364 0.82 ADORA2A (0.44) MAPTSMN1; SMN2TP53CYP3A4L3MBTL1
SCHEMBL18655361 0.82 MAPT (0.39) MAPTMAPK1CYP1A2NPC1RAB9A
SCHEMBL18650739 0.81 L3MBTL1 (0.47) MAOAMAPTMAPK1CYP1A2NPC1
SCHEMBL18655363 0.73 CCR1 (0.41) MAPTSMN1; SMN2TP53CYP3A4L3MBTL1
SCHEMBL18655366 0.71 HDAC3 (0.40) MAPTMAPK1CYP1A2NPC1RAB9A
SCHEMBL18655362 0.71 KMT2A (0.49) MAOAMAPTMAPK1CYP1A2NPC1
SCHEMBL5478013 0.70 RAD52 (0.57) NPC1RAB9AKMT2A
SCHEMBL18655360 0.70 CCR1 (0.47) MAPTSMN1; SMN2TP53CYP3A4L3MBTL1

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 2459/4885MAPT 4258/4885MAPK1 1982/4885

“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.