SCHEMBL10004476

SCHEMBL10004476

Cc1cccc(Cn2c(C)nc3c(c(OC(C)C)c(C(=O)NC4CCN(C(=O)CO)CC4)n3C)c2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.43
▸ DRD4 P21917 2/20 0.40
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL10003800 0.85 SMO (0.44) SMOALDH1A1HSD17B10L3MBTL1
SCHEMBL10004694 0.85 F10 (0.43) SMODRD4LMNATSHRSMN1; SMN2
SCHEMBL10003864 0.84 SMO (0.44) SMODRD4LMNAALDH1A1TSHR
SCHEMBL10004773 0.84 SMO (0.57) SMOALDH1A1
SCHEMBL10004198 0.83 SMO (0.56) SMOLMNAALDH1A1SMN1; SMN2
SCHEMBL10004193 0.82 SMO (0.55) SMODRD4LMNAALDH1A1HTT
SCHEMBL10004630 0.82 SMO (0.46) SMOALDH1A1MAPTHSD17B10
SCHEMBL10004591 0.82 SMO (0.60) SMOALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL10004896 0.81 SMO (0.55) SMODRD4ALDH1A1MAPTSMN1; SMN2
SCHEMBL10004957 0.80 LMNA (0.45) LMNAALDH1A1HTTMAPTTSHR

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 6 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
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 — — 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 SMO 1/4885DRD4 3540/4885LMNA 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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