SCHEMBL4148617

SCHEMBL4148617

COc1cc(C(=O)c2c(C)c(C(=O)O)c3c(OCc4ccccc4)cccn23)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 1/20 0.43
▸ MAX P61244 1/20 0.43
▸ ABCB1 P08183 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 4/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ RXRA P19793 1/20 0.41
▸ CTSV O60911 2/20 0.40
▸ CTSL P07711 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMPD1 P17405 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 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
SCHEMBL4148613 1.00 MYC (0.43) MYCMAXABCB1ALDH1A1LMNA
SCHEMBL4118022 0.90 ALDH1A1 (0.41) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL4118024 0.90 ALDH1A1 (0.41) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL3944784 0.85 ALDH1A1 (0.40) ABCB1ALDH1A1LMNAMAPTKMT2A
SCHEMBL3944781 0.85 ALDH1A1 (0.40) ABCB1ALDH1A1LMNAMAPTKMT2A
SCHEMBL3944817 0.82 MAPT (0.47) MYCMAXABCB1ALDH1A1LMNA
SCHEMBL3944820 0.82 MAPT (0.47) MYCMAXABCB1ALDH1A1LMNA
SCHEMBL3599610 0.81 ALDH1A1 (0.52) ABCB1ALDH1A1LMNAMAPTKMT2A
SCHEMBL3599778 0.76 KMT2A (0.45) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL13165756 0.75 ALDH1A1 (0.56) ALDH1A1LMNAMAPTKMT2AMEN1

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 MYC 1966/4885MAX 3131/4885ABCB1 1555/4885

“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.

Send feedback