SCHEMBL22337091

SCHEMBL22337091

CCOc1ccc(C(F)(F)F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2C9 P11712 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
ATM Q13315 1/20 0.53
PDE2A O00408 3/20 0.51
KDM1A O60341 2/20 0.47
HPGD P15428 1/20 0.45
IDO1 P14902 2/20 0.45
TUBB1 Q9H4B7 1/20 0.44
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.40
ESR1 P03372 1/20 0.40
FFAR1 O14842 1/20 0.39

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
SCHEMBL13756275 0.86 RXRA (0.47) CYP1A2CYP2C19CYP2C9L3MBTL1LMNA
SCHEMBL9967840 0.85 KDM1A (0.47) CYP1A2CYP2C19CYP2C9L3MBTL1MAPT
SCHEMBL12126027 0.85 CYP1A2 (0.51) CYP1A2CYP2C19CYP2C9L3MBTL1LMNA
SCHEMBL12674477 0.83 CYP1A2 (0.56) CYP1A2CYP2C19CYP2C9L3MBTL1LMNA
SCHEMBL24313892 0.80 CYP1A2 (0.54) CYP1A2CYP2C19CYP2C9L3MBTL1LMNA
SCHEMBL12128991 0.80 MRGPRX4 (0.55) CYP1A2CYP2C19CYP2C9L3MBTL1LMNA
SCHEMBL22809489 0.80 IDO1 (0.47) L3MBTL1LMNAMAPTATMPDE2A
SCHEMBL2241258 0.80 L3MBTL1 (0.72) CYP1A2CYP2C19CYP2C9L3MBTL1LMNA
SCHEMBL16960838 0.80 CYP1A2 (0.54) CYP1A2CYP2C19CYP2C9L3MBTL1LMNA
SCHEMBL1440131 0.80 CYP1A2 (0.54) CYP1A2CYP2C19CYP2C9L3MBTL1LMNA

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-11274101-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-15 US disclosed
US-11242348-B2 2022-02-08 US disclosed
US-20200255439-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-08-13 US 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 (3 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-20200255439-A1 HETEROCYCLIC COMPOUND MAG, HTT, ACHE CYP1A2 3217/4885CYP2C19 2935/4885CYP2C9 3156/4885
US-11274101-B2 Heterocyclic compound MAG, HTT, ACHE CYP1A2 3217/4885CYP2C19 2935/4885CYP2C9 3156/4885
US-11242348-B2 MAG, ACHE, GAP43 CYP1A2 3684/4885CYP2C19 4092/4885CYP2C9 4233/4885

“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.