SCHEMBL3944817

SCHEMBL3944817

COc1cc(C(=O)c2c(C)c(C(=O)O)c3ccc(OCc4ccccc4)cn23)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MYC P01106 1/20 0.41
▸ MAX P61244 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CTSV O60911 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ BCL2 P10415 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37

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
SCHEMBL3944820 1.00 MAPT (0.47) MAPTMEN1KMT2AMYCMAX
SCHEMBL3944692 0.86 L3MBTL1 (0.40) MEN1KMT2AL3MBTL1ALDH1A1MAOB
SCHEMBL4148613 0.82 MYC (0.43) MAPTMEN1KMT2AMYCMAX
SCHEMBL4148617 0.82 MYC (0.43) MAPTMEN1KMT2AMYCMAX
SCHEMBL3599610 0.82 ALDH1A1 (0.52) MAPTMEN1KMT2AABCB1ALDH1A1
SCHEMBL3945235 0.76 TTR (0.42) MAPTMEN1KMT2AABCB1ALDH1A1
SCHEMBL3950610 0.76 TTR (0.42) MAPTMEN1KMT2AABCB1ALDH1A1
SCHEMBL3949479 0.75 ALDH1A1 (0.40) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL3949474 0.75 ALDH1A1 (0.40) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL4118022 0.75 ALDH1A1 (0.41) MAPTMEN1KMT2AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553845-B2 Substituted indolizine 1,2,3,6,7,8 derivatives, FGFs inhibitors, a method for the preparation thereof and pharmaceutical compositions containing said derivatives SANOFI-AVENTIS (FR) 2009-06-30 — — US disclosed
US-20060199962-A1 Substituted indolizine 1,2,3,6,7,8 derivatives, FGFs inhibitors, a method for the preparation thereof and pharmaceutical compositions containing said derivatives SANOFI-AVENTIS (FR) 2006-09-07 — — US disclosed
EP-1664047-A1 SUBSTITUTED INDOLIZINE 1,2,3,6,7,8 DERIVATIVES, FGFS INHIBITORS, A METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES Sanofi-Aventis (FR) 2006-06-07 — — EP disclosed
WO-2005028476-A1 SUBSTITUTED INDOLIZINE 1,2,3,6,7,8 DERIVATIVES, FGFS INHIBITORS, A METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI-AVENTIS (FR) 2005-03-31 — — WO 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-20060199962-A1 Substituted indolizine 1,2,3,6,7,8 derivatives, FGFs inhibitors, a method for the preparation thereof and pharmaceutical compositions containing said derivatives FGF1, FGF2, FGFR1 MAPT 2703/4885MEN1 753/4885KMT2A 2957/4885

“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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