SCHEMBL10004560

SCHEMBL10004560

Cc1nc2c(c(OCC(F)(F)F)c(C(=O)O)n2C)c(=O)n1Cc1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.48
▸ HPGD P15428 3/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ MAPT P10636 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HSD17B10 Q99714 4/20 0.42
▸ TSHR P16473 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HTT P42858 2/20 0.41

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
SCHEMBL10004300 0.90 TDP1 (0.50) TDP1HPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL10004766 0.90 NPSR1 (0.42) TDP1HPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL10004100 0.87 ALDH1A1 (0.44) HPGDALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL10004150 0.85 NPSR1 (0.44) ALDH1A1MAPTSMN1; SMN2HSD17B10TSHR
SCHEMBL10004555 0.85 KMT2A (0.49) HPGDALDH1A1MAPTHSD17B10TSHR
SCHEMBL10004584 0.84 BLM (0.48) TDP1HPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL10003653 0.82 KMT2A (0.47) HPGDALDH1A1MAPTHSD17B10MEN1
SCHEMBL10003934 0.81 SMO (0.55) TDP1HPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL10004728 0.81 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HSD17B10TSHRMEN1
SCHEMBL10004065 0.81 KMT2A (0.43) HPGDALDH1A1SMN1; SMN2HSD17B10TSHR

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 TDP1 3899/4885HPGD 539/4885ALDH1A1 321/4885

“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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