SCHEMBL6403552

SCHEMBL6403552

CCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1I

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 2/20 0.55
KMT2A Q03164 3/20 0.54
HPGD P15428 1/20 0.54
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
MEN1 O00255 2/20 0.53
GAA P10253 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPK1 P28482 1/20 0.52
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
NPC1 O15118 2/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TRPC1 P48995 1/20 0.47

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
SCHEMBL5680923 0.92 ALDH1A1 (0.50) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL5676572 0.90 ALDH1A1 (0.48) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL5680826 0.86 ALDH1A1 (0.60) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL6405411 0.86 ALDH1A1 (0.60) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL31636462 0.84 ALDH1A1 (0.57) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL6527991 0.84 ALDH1A1 (0.81) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL6407442 0.83 ALDH1A1 (0.56) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL8345504 0.82 MAPT (0.62) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL2554053 0.82 ALDH1A1 (0.55) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL6403718 0.82 ALDH1A1 (0.55) ALDH1A1RAB9ASMN1; SMN2TSHRHTT

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-20050020564-A1 Pyrazole-amides and sulfonamides as sodium channel modulators ABBOTT LABORATORIES 2005-01-27 US disclosed
US-20040220170-A1 Pyrazole-amides and sulfonamides as sodium channel modulators ABBOTT LABORATORIES 2004-11-04 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 (2 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-20050020564-A1 Pyrazole-amides and sulfonamides as sodium channel modulators SCN3A, KCNN3, TRPV3 ALDH1A1 3384/4885RAB9A 3662/4885SMN1; SMN2 395/4885
US-20040220170-A1 Pyrazole-amides and sulfonamides as sodium channel modulators SCN3A, KCNN3, TRPV3 ALDH1A1 3384/4885RAB9A 3662/4885SMN1; SMN2 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.