SCHEMBL5483962

SCHEMBL5483962

COc1ccc(N)c(C(=O)c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADORA1 P30542 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
AKR1C3 P42330 2/20 0.52
AKR1C2 P52895 2/20 0.52
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
VNN1 O95497 1/20 0.49
SRD5A2 P31213 1/20 0.49
CES2 O00748 1/20 0.49
MAOB P27338 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.46

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
SCHEMBL11359946 0.84 ALDH1A1 (0.66) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL4710822 0.83 MEN1 (0.54) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL1868314 0.82 NPC1 (0.56) MAPTALDH1A1CYP1A2KDM4ENPSR1
SCHEMBL7485522 0.82 SRD5A2 (0.68) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL5347968 0.80 PTGS1 (0.59) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL5667231 0.80 PTGS1 (0.67) MAPTHSD17B10AKR1C3AKR1C2KDM4E
SCHEMBL31366495 0.80 ALDH1A1 (0.67) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL2533157 0.80 ALDH1A1 (0.67) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL5484462 0.80 CES2 (0.53) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL15628208 0.79 MEN1 (0.53) MAPTMEN1ALDH1A1CYP1A2CYP3A4

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-7250410-B2 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof VIA PHARMACEUTICALS, INC. (US) 2007-07-31 US disclosed
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 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-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof PDE7A, PDE3B, PDE3A MAPT 4388/4885MEN1 2617/4885ALDH1A1 395/4885

“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.