SCHEMBL7220722

SCHEMBL7220722

Nc1ccccc1N(C=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.40
KIF11 P52732 3/20 0.36
ALDH1A1 P00352 5/20 0.35
TSHR P16473 1/20 0.35
NSD2 O96028 2/20 0.34
PARP1 P09874 1/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 1/20 0.33
HDAC2 Q92769 1/20 0.33
P2RX1 P51575 1/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CYP1A1 P04798 1/20 0.32

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
SCHEMBL6906154 0.84 PTGS1 (0.37) PTGS1KIF11ALDH1A1TSHRNSD2
SCHEMBL9715426 0.81 CYP3A4 (0.35) ALDH1A1TSHRMAPTLMNAGAA
SCHEMBL6226289 0.79 MAPK13 (0.35) ALDH1A1TSHRMAPTLMNAGAA
SCHEMBL6228555 0.79 TDP1 (0.36) ALDH1A1TSHRMAPTGAAKDM4E
SCHEMBL30149972 0.70 CD44 (0.36) ALDH1A1TSHRMAPTLMNAGAA
SCHEMBL30149971 0.70 CD44 (0.36) ALDH1A1TSHRMAPTLMNAGAA
SCHEMBL10589464 0.69 KIF11 (0.43) KIF11ALDH1A1TSHR
SCHEMBL890760 0.68 NOS3 (0.35) ALDH1A1TSHRMAPTHDAC2KDM4E
SCHEMBL7214602 0.68 PTPN1 (0.47) ALDH1A1TSHRMAPTLMNAGAA
SCHEMBL6903434 0.66 ALDH1A1 (0.48) ALDH1A1TSHRLMNAGAAKDM4E

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-6548548-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-04-15 US disclosed
US-20020111364-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2002-08-15 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-20020111364-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 PTGS1 1408/4885KIF11 4183/4885ALDH1A1 399/4885

“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.