SCHEMBL8882499

SCHEMBL8882499

N#CCC=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.39
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSP90AA1 P07900 1/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
CFTR P13569 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
ALPG P10696 1/20 0.30
ALOX12 P18054 1/20 0.30
NPY1R P25929 1/20 0.30
NPY2R P49146 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP1B1 Q16678 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
SCHEMBL19634601 0.81 HTT (0.44) HTTLMNAALDH1A1KMT2AL3MBTL1
SCHEMBL19634614 0.76 HTT (0.40) HTTLMNAALDH1A1KMT2AL3MBTL1
SCHEMBL19634525 0.75 HTT (0.39) HTTLMNAL3MBTL1TSHRHIF1A
SCHEMBL808442 0.72 MEN1 (0.39) LMNAALDH1A1KMT2AL3MBTL1HSP90AA1
SCHEMBL7096547 0.70 ALDH1A1 (0.36) HTTLMNAALDH1A1KMT2AL3MBTL1
SCHEMBL377725 0.70 HTT (0.40) HTTLMNAALDH1A1KMT2AL3MBTL1
SCHEMBL27661786 0.70 MEN1 (0.38) LMNAALDH1A1KMT2AL3MBTL1HSP90AA1
SCHEMBL10665143 0.70 HSP90AA1 (0.35) HTTLMNAALDH1A1KMT2AL3MBTL1
Bromide SCHEMBL28241411 0.70 MEN1 (0.38) LMNAALDH1A1KMT2AL3MBTL1HSP90AA1
SCHEMBL8190077 0.70 GAA (0.41) HTTALDH1A1KMT2AHSP90AA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2024-02-27 US disclosed
US-5644053-A BETA-LACTAMASE INHIBITORS OR BACTERICIDE ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1997-07-01 US disclosed
US-5637579-A BETA-LACTAMASE INHIBITORS; BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1997-06-10 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-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof EIF2AK4, GCN1, MAPKAPK2 HTT 727/4885LMNA 770/4885ALDH1A1 4542/4885

“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.