SCHEMBL3950610

SCHEMBL3950610

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ TUBB4A P04350 5/20 0.41
▸ TUBB P07437 5/20 0.41
▸ TUBA3C P0DPH7 5/20 0.41
▸ TUBA1B P68363 5/20 0.41
▸ TUBA4A P68366 5/20 0.41
▸ TUBB4B P68371 5/20 0.41
▸ TUBB3 Q13509 5/20 0.41
▸ TUBB2A Q13885 5/20 0.41
▸ TUBB8 Q3ZCM7 5/20 0.41
▸ TUBA3E Q6PEY2 5/20 0.41
▸ TUBA1A Q71U36 5/20 0.41
▸ TUBA1C Q9BQE3 5/20 0.41
▸ TUBB6 Q9BUF5 5/20 0.41
▸ TUBB2B Q9BVA1 5/20 0.41
▸ TUBB1 Q9H4B7 5/20 0.41
▸ TPMT P51580 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.39

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
SCHEMBL3945235 1.00 TTR (0.42) TTRTSHRTUBB4ATUBBTUBA3C
SCHEMBL4124151 0.91 MAPT (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3593015 0.84 ALDH1A1 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3946003 0.83 TUBB4A (0.43) TSHRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5740026 0.83 ALDH1A1 (0.38) TTRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3599610 0.77 ALDH1A1 (0.52) TSHRMAPTALDH1A1SMN1; SMN2ABCB1
SCHEMBL3944758 0.76 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2ABCB1KMT2A
SCHEMBL13165756 0.76 ALDH1A1 (0.56) TSHRMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL29753668 0.76 TTR (0.64) TTRTSHRTPMTMAPTALDH1A1
SCHEMBL223878 0.76 TTR (0.64) TTRTSHRTPMTMAPTALDH1A1

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 TTR 4141/4885TSHR 782/4885TUBB4A 2378/4885

“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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