SCHEMBL6987750

SCHEMBL6987750

S=c1ccn(-c2ccc(Br)cc2)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.35
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
HTT P42858 1/20 0.33
CYP2A6 P11509 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.32
APOBEC3G Q9HC16 1/20 0.30
CNR1 P21554 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6986315 0.75 SMN1; SMN2 (0.64) NPSR1POLBHPGDHSD17B10SMN1; SMN2
SCHEMBL6777058 0.64 POLB (0.47) NPSR1POLBHPGDHSD17B10SMN1; SMN2
SCHEMBL18865500 0.58 ALKBH5 (0.50) NPSR1POLBHPGDHSD17B10FAAH
SCHEMBL636960 0.58 VHL (0.50) NPSR1POLBHPGDSMN1; SMN2FAAH
SCHEMBL8507769 0.58 CYP2A6 (0.44) NPSR1FAAHMGLLHTTCYP2A6
SCHEMBL18508 0.58
SCHEMBL17304833 0.55 CYP2A6 (0.40) NPSR1POLBHPGDHSD17B10FAAH
SCHEMBL31252540 0.55 AKR1C3 (0.57) HTTCYP2A6ALDH1A1KMT2A
SCHEMBL15987789 0.55 CYP2A6 (0.47) POLBHSD17B10FAAHMGLLCYP2A6
SCHEMBL3138002 0.54

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-20030125325-A1 Pyrazolyl benzyl thioethers BAYER AKTIENGESELLSCHAFT (DE) 2003-07-03 US disclosed
EP-1273573-A1 Pyrazolylbenzylthioethers and their use for combating organisms which are harmful to plants Bayer CropScience AG (DE) 2003-01-08 EP 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-20030125325-A1 Pyrazolyl benzyl thioethers TST, TPMT, PTBP3 NPSR1 4358/4885POLB 3024/4885HPGD 2441/4885

“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.