SCHEMBL24966937

SCHEMBL24966937

CCCOC(=O)c1cc([N+](=O)[O-])n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.47
▸ ALPL P05186 2/20 0.39
▸ ESR1 P03372 2/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HPGDS O60760 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ GPR84 Q9NQS5 1/20 0.38
▸ COMT P21964 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CHRM1 P11229 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ KDR P35968 1/20 0.36

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
SCHEMBL17796561 0.88 MAPT (0.58) MAPTALPLL3MBTL1RAB9ANPC1
SCHEMBL17187740 0.86 MAPT (0.42) MAPTALPLESR1L3MBTL1RAB9A
SCHEMBL627520 0.80 MAPK1 (0.57) MAPTALPLRAB9ANPC1LMNA
SCHEMBL25181903 0.77 MAPK1 (0.57) MAPTALPLESR1L3MBTL1RAB9A
SCHEMBL12332643 0.75 SMN1; SMN2 (0.37) MAPTL3MBTL1KMT2ALMNAMAPK1
SCHEMBL160276 0.73 SMN1; SMN2 (0.51) ALPLSMN1; SMN2TP53
SCHEMBL175136 0.72 SMN1; SMN2 (0.40) MAPTKMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL14917715 0.70 MAPK1 (0.34) MAPTALPLL3MBTL1KMT2AMAPK1
SCHEMBL25177510 0.69 MAPK1 (0.54) MAPTALPLESR1L3MBTL1RAB9A
SCHEMBL19451630 0.69 GPR84 (0.50) MAPTALPLESR1L3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230026724-A1 SUBSTITUTED NITROGEN HETEROCYCLIC COMPOUND AND ANESTHETIC EFFECT THEREOF CHENGDU MFS PHARMA. CO., LTD. (CN) 2023-01-26 — — 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-20230026724-A1 SUBSTITUTED NITROGEN HETEROCYCLIC COMPOUND AND ANESTHETIC EFFECT THEREOF CYP21A2, CYP11B1, CYP11B2 MAPT 2119/4885ALPL 1613/4885ESR1 2583/4885

“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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