SCHEMBL25713449

SCHEMBL25713449

c1ccc(-c2cccc(N(c3ccc4sc5ncccc5c4c3)c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
LIMK1 P53667 2/20 0.33
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
ROCK1 Q13464 1/20 0.32
POLB P06746 1/20 0.32
RXFP1 Q9HBX9 2/20 0.30
PPARG P37231 1/20 0.30
NCOA2 Q15596 1/20 0.30
NCOA1 Q15788 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PIM3 Q86V86 1/20 0.30
CLK1 P49759 1/20 0.30

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
SCHEMBL25714496 0.93 ALDH1A1 (0.37) ALDH1A1LIMK1ROCK1POLBPIM3
SCHEMBL24055714 0.89 ALDH1A1 (0.38) ALDH1A1LIMK1RAB9ALMNAHPGD
SCHEMBL25714547 0.89 ALDH1A1 (0.38) ALDH1A1LIMK1RAB9ALMNAHPGD
SCHEMBL17701423 0.86 LIMK1 (0.40) ALDH1A1LIMK1RAB9ALMNAHPGD
SCHEMBL25714429 0.85 ALDH1A1 (0.36) ALDH1A1LIMK1RAB9ALMNAROCK1
SCHEMBL25714471 0.85 ROCK1 (0.35) ALDH1A1LIMK1RAB9ALMNAROCK1
SCHEMBL25714302 0.85 ALDH1A1 (0.35) ALDH1A1LIMK1RAB9ALMNAROCK1
SCHEMBL24055609 0.85 ALDH1A1 (0.37) ALDH1A1LIMK1RAB9AROCK1POLB
SCHEMBL24057784 0.84 ALDH1A1 (0.36) ALDH1A1LIMK1RAB9AROCK1POLB
SCHEMBL25714335 0.84 CYP17A1 (0.38) ALDH1A1LIMK1RAB9AROCK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230157159-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2023-05-18 US disclosed
US-20230157159-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2023-05-18 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-20230157159-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME NR0B1, AHR, ARL1 ALDH1A1 628/4885LIMK1 915/4885RAB9A 2249/4885

“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.