SCHEMBL10299353

SCHEMBL10299353

CCc1cc2c(c(OC(C)C)c(C(=O)NCCN3CCCC3=O)n2C)c(=O)n1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ADRA1D P25100 3/20 0.42
▸ ADRA1A P35348 3/20 0.42
▸ ADRA1B P35368 3/20 0.42
▸ NAMPT P43490 2/20 0.41
▸ GAA P10253 2/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ POLB P06746 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
SCHEMBL12825708 0.94 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAADRA1DADRA1A
SCHEMBL10003784 0.89 HTR3A (0.45) ALDH1A1KDM4EADRA1DADRA1AADRA1B
SCHEMBL12825647 0.83 KMT2A (0.34) ALDH1A1KDM4ENAMPTKMT2ASMN1; SMN2
SCHEMBL10299320 0.83 POLB (0.41) ALDH1A1KDM4ELMNAGAAKMT2A
SCHEMBL10299336 0.82 LMNA (0.35) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL12020094 0.81 SMO (0.36) ALDH1A1LMNAADRA1DADRA1ANAMPT
SCHEMBL10299318 0.81 MKNK1 (0.36) ALDH1A1KDM4EGAACYP2C9KMT2A
SCHEMBL10299362 0.81 SRC (0.41) ALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL10299272 0.80 MET (0.41) POLB
SCHEMBL10003727 0.79 HKDC1 (0.37) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907089-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-09 — — US disclosed
US-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471790-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-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH ALDH1A1 321/4885KDM4E 405/4885LMNA 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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