SCHEMBL26162648

SCHEMBL26162648

CCOc1ccc([N+](=O)[O-])c(OCC)c1C1=CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 8/20 0.44
▸ MAPT P10636 7/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ GAA P10253 1/20 0.35
▸ S1PR1 P21453 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ POLB P06746 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
SCHEMBL26162618 0.80 MAPT (0.39) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL26162661 0.79 ALDH1A1 (0.36) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL26162642 0.74 GCK (0.35) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL26162626 0.74 LMNA (0.34) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL26162649 0.71 GRIN2D (0.37) LMNAMAPTPOLB
SCHEMBL25529652 0.69 LMNA (0.49) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL4772911 0.68 PDGFRB (0.44) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL19175042 0.68 CHEK1 (0.42) MAPTMEN1KMT2AMAPK1RECQL
SCHEMBL26162651 0.66 MAPK14 (0.36) MAPK1
SCHEMBL19172481 0.66 TXNRD1 (0.39) ALDH1A1

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 LMNA 4322/4885MAPT 4800/4885ALDH1A1 512/4885

“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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