SCHEMBL4073995

SCHEMBL4073995

CCCCCN=C1NCc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
ALOX12 P18054 1/20 0.38
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 3/20 0.33
GAA P10253 1/20 0.33
C3AR1 Q16581 1/20 0.33
KCNA3 P22001 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTR5A P47898 3/20 0.32

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
SCHEMBL4073991 1.00 L3MBTL1 (0.41) L3MBTL1CA12CA9ALOX12CYP1A2
SCHEMBL7755455 0.95 CA12 (0.41) L3MBTL1CA12CA9ALOX12CYP1A2
SCHEMBL4562954 0.76 C3AR1 (0.53) L3MBTL1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL4562956 0.76 C3AR1 (0.53) L3MBTL1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL10700451 0.72 CA12 (0.54) CA12CA9GAAHTR5APARP1
SCHEMBL4127799 0.69 CA12 (0.50) L3MBTL1CA12CA9CYP1A2CYP2C19
SCHEMBL1567419 0.69 CA12 (0.50) CA12CA9ALDH1A1LMNAGAA
SCHEMBL10920408 0.69 CA12 (0.50) CA12CA9ALDH1A1LMNAGAA
Fluorene SCHEMBL25291666 0.66 MAOA (0.50) ALOX12CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL28856434 0.65 NR1H2 (0.39) CA12CA9ALOX12CYP1A2CYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090243468-A1 ARYLIMINO-ISOINDOLINE COMPLEXES FOR USE IN ORGANIC LIGHT EMITTING DIODES THE UNIVERSITY OF SOUTHERN CALIFORNIA 2009-10-01 US disclosed
US-20090243468-A1 ARYLIMINO-ISOINDOLINE COMPLEXES FOR USE IN ORGANIC LIGHT EMITTING DIODES THE UNIVERSITY OF SOUTHERN CALIFORNIA 2009-10-01 US disclosed
WO-2009052268-A1 ARYLIMINO-ISOINDOLINE COMPLEXES FOR USE IN ORGANIC LIGHT EMITTING DIODES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-23 WO disclosed
WO-2009052268-A1 ARYLIMINO-ISOINDOLINE COMPLEXES FOR USE IN ORGANIC LIGHT EMITTING DIODES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-23 WO 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-20090243468-A1 ARYLIMINO-ISOINDOLINE COMPLEXES FOR USE IN ORGANIC LIGHT EMITTING DIODES BRI3BP, PPOX, MAP1LC3C L3MBTL1 246/4885CA12 4479/4885CA9 4405/4885

“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.