SCHEMBL4207114

SCHEMBL4207114

Cc1nc(C(F)(F)F)ccc1COC(=O)n1ccnc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 3/20 0.38
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
TRPV1 Q8NER1 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CNR1 P21554 2/20 0.34
CYP2C19 P33261 2/20 0.34
THRB P10828 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL20511767 0.80 MAOB (0.40) CYP2C19
SCHEMBL4027132 0.73 HMOX1 (0.48) MEN1KMT2ATRPV1CYP3A4CYP2C9
SCHEMBL4857157 0.72 TBXAS1 (0.41) ALDH1A1LMNA
SCHEMBL12185258 0.71 HTT (0.37) ALDH1A1THRB
SCHEMBL19973954 0.70 DPP4 (0.43) MEN1ALDH1A1MAPTKMT2ACYP3A4
SCHEMBL217356 0.70 ALDH1A1 (0.42) MEN1ALDH1A1MAPTKMT2ACYP2C9
SCHEMBL2152993 0.70 TBXAS1 (0.38) ALDH1A1LMNA
SCHEMBL12016599 0.70 LMNA (0.42) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL20511850 0.70 TBXAS1 (0.34) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL25679817 0.69 MBOAT4 (0.41) MBOAT4TRPV1CYP3A4CYP2C9CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131502-A1 Biologically active compounds QUIBELL MARTIN 2009-05-21 US disclosed
WO-2007023281-A2 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2007-03-01 WO 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-20090131502-A1 Biologically active compounds COLGALT1, SOST, COL1A1 MBOAT4 2166/4885MEN1 185/4885ALDH1A1 880/4885

“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.