SCHEMBL10003931

SCHEMBL10003931

Cc1nc2c(c(OC(C)C)c(C(=O)O)n2C)c(=O)n1COCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.40
▸ CRHBP P24387 2/20 0.40
▸ CRHR2 Q13324 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MCOLN3 Q8TDD5 1/20 0.40
▸ HTT P42858 2/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ LMNA P02545 2/20 0.37
▸ USP2 O75604 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 5/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAOA P21397 2/20 0.35
▸ MAOB P27338 2/20 0.35
▸ GFER P55789 1/20 0.35
▸ GAA P10253 3/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL10003785 0.91 ALDH1A1 (0.39) MAPTCRHBPCRHR2NPSR1MCOLN3
SCHEMBL10004957 0.82 LMNA (0.45) MAPTNPSR1HTTALDH1A1LMNA
SCHEMBL10003800 0.81 SMO (0.44) ALDH1A1KMT2AMEN1HSD17B10KDM4E
SCHEMBL10004729 0.80 HKDC1 (0.53) MAPTNPSR1HTTALDH1A1LMNA
SCHEMBL10003876 0.78 ALDH1A1 (0.43) MAPTHTTALDH1A1LMNAUSP2
SCHEMBL10004766 0.73 NPSR1 (0.42) MAPTNPSR1ALDH1A1USP2KMT2A
SCHEMBL10004570 0.72 HKDC1 (0.48) MAPTALDH1A1KMT2AMEN1HSD17B10
SCHEMBL10004011 0.70 ALDH1A1 (0.38) HTTALDH1A1LMNAKMT2AMEN1
SCHEMBL10003653 0.69 KMT2A (0.47) MAPTNPSR1ALDH1A1LMNAKMT2A
SCHEMBL10003748 0.69 KMT2A (0.43) MAPTCRHBPCRHR2NPSR1MCOLN3

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
EP-2471793-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-10-05 — — EP disclosed
US-8614208-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-24 — — US disclosed
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 — — US disclosed
EP-2471793-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-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH MAPT 4783/4885CRHBP 4135/4885CRHR2 3967/4885

“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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