SCHEMBL7103398

SCHEMBL7103398

Cn1cnc(C2=CCCc3c2cccc3N(Cc2ccccc2)S(C)(=O)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
GRM5 P41594 1/20 0.33
GRM1 Q13255 1/20 0.33
GAA P10253 1/20 0.32
PGGT1B P53609 1/20 0.32
PARP1 P09874 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
SCHEMBL7097701 0.83 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL7147951 0.70 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL17595436 0.60 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL3274287 0.60 KMT2A (0.60) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL18438489 0.59 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL303614 0.59 HTR2C (0.58) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL2212915 0.59 MEN1 (0.58) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL15133291 0.59 KMT2A (1.00) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL1722397 0.58 MEN1 (0.61) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL12808838 0.58 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ALMNAHPGD

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-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ABBOTT LABORATORIES 2003-04-17 US disclosed
US-6503935-B1 Treating urinary incontinence or retrograde ejaculation ABBOTT LABORATORIES 2003-01-07 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-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ADRA1D, ADRB1, ADRA1A ALDH1A1 263/4885MEN1 3832/4885KMT2A 1672/4885

“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.