SCHEMBL3536304

SCHEMBL3536304

N#Cc1cccnc1Oc1ccc(F)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.41
ALOX5AP P20292 2/20 0.41
FEN1 P39748 2/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
BACE1 P56817 1/20 0.40
KDM4E B2RXH2 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HPGD P15428 3/20 0.40
CYP11B2 P19099 1/20 0.38
PIN1 Q13526 1/20 0.38
MAPT P10636 2/20 0.37
P2RX3 P56373 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL3287615 0.84 CYP19A1 (0.42) CYP19A1ALOX5APFEN1ALDH1A1SMN1; SMN2
SCHEMBL29719546 0.83 KMT2A (0.56) ALOX5APFEN1ALDH1A1SMN1; SMN2BACE1
SCHEMBL3287938 0.80 ALDH1A1 (0.62) CYP19A1FEN1ALDH1A1SMN1; SMN2MEN1
SCHEMBL3287923 0.78 ALOX5AP (0.43) CYP19A1ALOX5APFEN1ALDH1A1SMN1; SMN2
SCHEMBL3293477 0.78 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL3591251 0.77 ALDH1A1 (0.44) CYP19A1ALOX5APFEN1ALDH1A1SMN1; SMN2
SCHEMBL7432141 0.77 POLB (0.57) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL169682 0.77 KMT2A (0.55) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL5254828 0.74 CYP11B2 (0.41) CYP19A1ALOX5APFEN1ALDH1A1SMN1; SMN2
SCHEMBL3532363 0.74 ALOX5AP (0.48) ALOX5APFEN1ALDH1A1SMN1; SMN2CYP11B2

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-7704997-B1 Amino-tetrazole analogues and methods of use ABBOTT LABORATORIES (US) 2010-04-27 US disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 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-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 CYP19A1 2491/4885ALOX5AP 1397/4885FEN1 4646/4885

“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.