SCHEMBL13304875

SCHEMBL13304875

CC(C)CC(C)c1cc(F)ccc1NC(=O)c1cn(C)nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
NPC1 O15118 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
ATM Q13315 1/20 0.36
DHODH Q02127 1/20 0.36
MRGPRX1 Q96LB2 1/20 0.36
SHMT2 P34897 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
GAA P10253 1/20 0.35
CTSL P07711 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL15132716 0.88 ATM (0.49) ALDH1A1RAB9ANPC1ATMDHODH
SCHEMBL10238303 0.88 ALDH1A1 (0.38) ALDH1A1LMNARAB9APOLBNPC1
SCHEMBL4107508 0.87 ALDH1A1 (0.38) ALDH1A1LMNARAB9ANPC1ATM
SCHEMBL13304548 0.85 LMNA (0.50) LMNAPOLBDHODHCYP1A2CYP2C9
SCHEMBL13304549 0.84 ATM (0.46) LMNAPOLBATMDHODHGAA
SCHEMBL13304624 0.81 SMN1; SMN2 (0.48) ALDH1A1RAB9ANPC1ATMGAA
SCHEMBL8411920 0.78 LMNA (0.60) LMNARAB9APOLBCYP1A2CYP2C9
SCHEMBL13843954 0.77 CYP1A2 (0.46) ALDH1A1LMNARAB9ANPC1CYP1A2
SCHEMBL13304626 0.75 ATM (0.46) LMNAATMDHODHGAA
SCHEMBL13304643 0.75 ALDH1A1 (0.54) ALDH1A1LMNARAB9APOLBNPC1

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
EP-2192115-A1 1,3-dimethylbutylcarboxanilides for controlling undesirable micro-organisms Bayer CropScience AG (DE) 2010-06-02 EP disclosed
US-20070196406-A1 1,3-Dimethylbutyl carboxanilides for controlling undesirable micro-organisms BAYER CROPSCIENCE AG (DE) 2007-08-23 US disclosed
US-20070196406-A1 1,3-Dimethylbutyl carboxanilides for controlling undesirable micro-organisms BAYER CROPSCIENCE AG (DE) 2007-08-23 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 (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-20070196406-A1 1,3-Dimethylbutyl carboxanilides for controlling undesirable micro-organisms MCRS1, MRM1, PADI1 ALDH1A1 313/4885LMNA 4156/4885RAB9A 1873/4885

“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.