SCHEMBL7526606

SCHEMBL7526606

N#CC1c2ccccc2CSc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.44
PIM1 P11309 1/20 0.36
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
RAD52 P43351 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADRA2A P08913 2/20 0.33
DRD2 P14416 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
ADRA1A P35348 2/20 0.33
HRH1 P35367 2/20 0.33

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
SCHEMBL7520579 0.84 LMNA (0.44) ALDH1A1GAAMAPTHPGDALOX12
SCHEMBL6866913 0.75 HTR2A (0.52) PIM1HTR2AHTR2CHRH1SLC6A2
SCHEMBL7518024 0.75 RET (0.47) ALDH1A1PIM1L3MBTL1HTR2ALMNA
SCHEMBL6865610 0.75 PIM1 (0.45) GAAMAPTALOX12TDP1POLB
SCHEMBL5466833 0.74 ALDH1A1 (0.57) ALDH1A1GAAMAPTHPGDALOX12
SCHEMBL2126069 0.74 ALDH1A1 (0.60) ALDH1A1GAAMAPTHPGDALOX12
SCHEMBL19935227 0.73 ALDH1A1 (0.54) ALDH1A1GAAMAPTHPGDALOX12
SCHEMBL21185020 0.73 ALDH1A1 (0.55) ALDH1A1GAAMAPTHPGDALOX12
SCHEMBL10239427 0.73 ALDH1A1 (0.55) ALDH1A1GAAMAPTHPGDALOX12
SCHEMBL6384769 0.73 ALDH1A1 (0.58) ALDH1A1GAAMAPTHPGDALOX12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020151553-A1 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-10-17 US disclosed
US-6433165-B1 ANTIINFLAMMATORY AGENTS MILLENNIUM PHARMACEUTICALS, INC. 2002-08-13 US disclosed
US-6323206-B1 ANTIINFLAMMATORY AGENTS AND VIRICIDES FOR AIDS WITH CYTOKINESAND CHEMOKINES MILLENNIUM PHARMACEUTICALS, INC. 2001-11-27 US disclosed
US-4335122-A DIURETICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1982-06-15 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-20020151553-A1 Chemokine receptor antagonists and methods of use therefor CCR1, CCR2, CCR5 ALDH1A1 1711/4885GAA 4497/4885MAPT 4855/4885

“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.