SCHEMBL3673109

SCHEMBL3673109

CCCCNC(=O)N(CC)Cc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.48
HPGD P15428 2/20 0.48
TSPO P30536 1/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
RAB9A P51151 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
CNR2 P34972 1/20 0.43
SOAT1 P35610 1/20 0.42
YAP1 P46937 1/20 0.42
TEAD4 Q15561 1/20 0.42
TEAD2 Q15562 1/20 0.42

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
SCHEMBL3483414 0.89 MAPK1 (0.46) MAPK1HPGDHDAC1HDAC3HDAC2
SCHEMBL14288523 0.79 PTGES (0.61) ALDH1A1HPGDHDAC1HDAC3HDAC6
SCHEMBL3482745 0.79 HPGD (0.47) ALDH1A1MAPK1HPGDHDAC1HDAC3
SCHEMBL14174777 0.77 HPGD (0.52) ALDH1A1HPGDHDAC1HDAC3HDAC2
SCHEMBL5611450 0.76 EPHX1 (0.50)
SCHEMBL6413122 0.75 ALDH1A1 (0.60) ALDH1A1TSPOPOLBAPEX1TDP1
SCHEMBL3483294 0.74 PTGES (0.53) ALDH1A1HPGDHDAC1HDAC6LTB4R2
SCHEMBL29221801 0.74 PTGES (0.59) ALDH1A1HPGD
SCHEMBL5067676 0.73 LPAR1 (0.51) ALDH1A1MAPK1HPGDHDAC1HDAC3
SCHEMBL28740692 0.73 POLB (0.51) ALDH1A1HPGDHDAC1HDAC3HDAC2

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-9006225-B2 Stable pharmaceutical composition ASAHI KASEI PHARMA CORPORATION (JP) 2015-04-14 US disclosed
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-18 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-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION SLC5A1, SLC5A2, SLC2A9 ALDH1A1 1812/4885MAPK1 548/4885HPGD 2467/4885

“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.