SCHEMBL10004914

SCHEMBL10004914

Cc1nc2c(c(OCC(F)(F)F)c(C(=O)O)n2C)c(=O)n1CCc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ GFER P55789 1/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ NPSR1 Q6W5P4 5/20 0.40
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ USP2 O75604 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CASR P41180 2/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ MCOLN3 Q8TDD5 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
SCHEMBL10004150 0.92 NPSR1 (0.44) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL10003861 0.90 ALDH1A1 (0.43) MAPTALDH1A1LMNAGFERRXFP1
SCHEMBL10004766 0.85 NPSR1 (0.42) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL10003752 0.84 MAPT (0.47) MAPTALDH1A1LMNAGFERMEN1
SCHEMBL10004100 0.84 ALDH1A1 (0.44) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL10003653 0.83 KMT2A (0.47) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL10004584 0.83 BLM (0.48) MAPTALDH1A1LMNARXFP1MEN1
SCHEMBL10004501 0.82 ALDH1A1 (0.43) MAPTALDH1A1LMNARXFP1MEN1
SCHEMBL10004690 0.81 SMO (0.54) MAPTALDH1A1LMNARXFP1NPSR1
SCHEMBL10004560 0.79 TDP1 (0.48) MAPTALDH1A1LMNAMEN1KMT2A

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 4783/4885ALDH1A1 321/4885LMNA 4452/4885

“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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