SCHEMBL26162618

SCHEMBL26162618

CCOc1c(C2=CCOCC2)cccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.39
▸ RECQL P46063 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ LMNA P02545 5/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPK14 Q16539 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ S1PR1 P21453 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL29517002 0.85 IDH2 (0.36) RECQLALDH1A1MAPK14CYP1A2CYP2D6
SCHEMBL25197753 0.85 IDH2 (0.36) RECQLALDH1A1MAPK14CYP1A2CYP2D6
SCHEMBL26162637 0.83 MAPK14 (0.36) MAPTRECQLKMT2AMAPK1MEN1
SCHEMBL26162642 0.82 GCK (0.35) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL26162626 0.81 LMNA (0.34) MAPTKMT2AMAPK1MEN1LMNA
SCHEMBL26162646 0.81 MAPK14 (0.34) MAPTRECQLKMT2AMAPK1ALDH1A1
SCHEMBL26162648 0.80 LMNA (0.44) MAPTRECQLKMT2AMAPK1MEN1
SCHEMBL29162256 0.79 MAPK14 (0.33) MAPTRECQLKMT2AMAPK1ALDH1A1
SCHEMBL26162649 0.79 GRIN2D (0.37) MAPTLMNAMAPK14
SCHEMBL27168532 0.79 MAPK14 (0.35) MAPK14PDCD1CD274

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-20230167074-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF, USE THEREOF, AND INTERMEDIATE THEREOF FUJIFILM CORPORATION (JP) 2023-06-01 — — US disclosed
US-20230167074-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF, USE THEREOF, AND INTERMEDIATE THEREOF FUJIFILM CORPORATION (JP) 2023-06-01 — — 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-20230167074-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF, USE THEREOF, AND INTERMEDIATE THEREOF DHRS9, DHODH, CBR1 MAPT 4800/4885RECQL 3165/4885KMT2A 2199/4885

“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.

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