SCHEMBL31397104

SCHEMBL31397104

CNc1cc(-c2ccc(CC(=O)OC)cc2)ncc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ CYP4F2 P78329 1/20 0.38
▸ CYP4A11 Q02928 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ HCAR3 P49019 1/20 0.37
▸ PKM P14618 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NFKB1 P19838 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
SCHEMBL31397084 0.88 HCAR3 (0.41) MAPK1HTTRAB9ANPC1HCAR3
SCHEMBL7426294 0.79 ALDH1A1 (0.46) MAPK1HTTCYP4F2CYP4A11ALDH1A1
SCHEMBL29875081 0.79 ALDH1A1 (0.46) MAPK1HTTCYP4F2CYP4A11ALDH1A1
SCHEMBL22115089 0.76 HCAR3 (0.55) MAPK1HTTCYP4F2CYP4A11ALDH1A1
SCHEMBL27178839 0.75 RAB9A (0.45) ALDH1A1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL29605784 0.70 ALDH1A1 (0.53) HTTCYP4F2CYP4A11ALDH1A1RAB9A
SCHEMBL27694530 0.70 RAB9A (0.49) CYP4F2CYP4A11ALDH1A1RAB9ANPC1
SCHEMBL1407913 0.70 HTT (0.66) MAPK1HTTALDH1A1RAB9ASMN1; SMN2
SCHEMBL521069 0.68 MAPT (0.57) HTTCYP4F2CYP4A11ALDH1A1SMN1; SMN2
SCHEMBL16412469 0.68 PDGFRB (0.57) MAPK1CYP4F2CYP4A11ALDH1A1RAB9A

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-20240424111-A1 Degrader Compounds and Uses Thereof CALICO LIFE SCIENCES LLC (US) 2024-12-26 — — 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-20240424111-A1 Degrader Compounds and Uses Thereof PTPN1, PTPN2, PTPN5 MAPK1 757/4885HTT 988/4885CYP4F2 1297/4885

“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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