SCHEMBL720933

SCHEMBL720933

Cc1c(C(=O)C2CCCCC2)sc2cc(C(F)(F)F)cnc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 11/20 0.45
LMNA P02545 1/20 0.44
KDM4E B2RXH2 10/20 0.43
GAA P10253 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CSNK1D P48730 1/20 0.40
NPSR1 Q6W5P4 4/20 0.39
POLB P06746 3/20 0.39
PKM P14618 2/20 0.39
HPGD P15428 2/20 0.38
S1PR2 O95136 1/20 0.38
ESR1 P03372 1/20 0.36
CNR1 P21554 1/20 0.36
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL27852359 0.81 CYP2C9 (0.55) CYP2C9CYP2C19ALDH1A1LMNAKDM4E
SCHEMBL28794517 0.80 CYP2C9 (0.64) CYP2C9CYP2C19ALDH1A1LMNAKDM4E
SCHEMBL719808 0.75 ALDH1A1 (0.53) CYP2C9CYP2C19ALDH1A1LMNAKDM4E
SCHEMBL724156 0.74 LIMK1 (0.45) CYP2C19ALDH1A1LMNAGAAHPGD
SCHEMBL718728 0.69 RCE1 (0.44) CYP2C9CYP2C19ALDH1A1LMNAKDM4E
SCHEMBL720172 0.68 ALDH1A1 (0.44) CYP2C9CYP2C19ALDH1A1LMNAKDM4E
SCHEMBL724162 0.68 CYP2C9 (0.43) CYP2C9CYP2C19ALDH1A1LMNAKDM4E
SCHEMBL719608 0.67 KDM4E (0.44) CYP2C19ALDH1A1LMNAKDM4EGAA
SCHEMBL4118771 0.67 ALDH1A1 (0.67) CYP2C9CYP2C19ALDH1A1LMNAKDM4E
SCHEMBL717434 0.64 PRNP (0.51) CYP2C19ALDH1A1LMNAKDM4EGAA

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
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP CYP2C9 896/4885CYP2C19 946/4885ALDH1A1 504/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP CYP2C9 896/4885CYP2C19 946/4885ALDH1A1 504/4885

“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.