SCHEMBL10004096

SCHEMBL10004096

CCOC(=O)c1c(OC(C)C)c2cc([N+](=O)[O-])c(CC)cc2n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.46
▸ POLB P06746 5/20 0.40
▸ PKM P14618 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ LMNA P02545 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CRHBP P24387 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GALR2 O43603 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ XBP1 P17861 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
SCHEMBL10003183 0.83 MAPT (0.50) MAPTPOLBPKMTP53ALDH1A1
SCHEMBL10004330 0.82 MAPT (0.46) MAPTPOLBPKMTP53ALDH1A1
SCHEMBL10002900 0.82 MAPT (0.42) MAPTPOLBALDH1A1LMNANPC1
SCHEMBL10003725 0.75 MAPT (0.41) MAPTPOLBALDH1A1LMNAKMT2A
SCHEMBL10003102 0.75 BRPF1 (0.48) MAPTPOLBALDH1A1LMNANPC1
SCHEMBL10003333 0.73 KDM4E (0.47) MAPTPOLBTP53ALDH1A1LMNA
SCHEMBL12003723 0.73 ALDH1A1 (0.43) MAPTPOLBALDH1A1LMNANPC1
SCHEMBL10002937 0.73 MAPT (0.47) MAPTPOLBPKMTP53ALDH1A1
SCHEMBL10003578 0.73 MAPT (0.51) MAPTPOLBPKMTP53ALDH1A1
SCHEMBL10003501 0.73 KDM4E (0.37) MAPTPOLBALDH1A1LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471789-B9 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-25 — — EP disclosed
EP-2471789-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-09-17 — — EP disclosed
US-8486965-B2 Pyrrolo[2,3-b]pyridine derivative and use thereof for treatment of cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-16 — — US disclosed
US-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471789-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — EP 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-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH MAPT 4783/4885POLB 4723/4885PKM 4060/4885

“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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