SCHEMBL4904149

SCHEMBL4904149

NCCSc1ccc(-c2ccccc2)nn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.55
RAB9A P51151 8/20 0.55
NPC1 O15118 7/20 0.55
HPGD P15428 4/20 0.55
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
MAPT P10636 7/20 0.49
LMNA P02545 4/20 0.49
GAA P10253 1/20 0.49
HCRTR1 O43613 1/20 0.48
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL7029342 0.76 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1HPGDBCHE
SCHEMBL12796678 0.76 HTR7 (0.65) SMN1; SMN2RAB9AHPGDMAPTLMNA
SCHEMBL15304943 0.76 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1HPGDBCHE
SCHEMBL6935644 0.75 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1HPGDBCHE
SCHEMBL1752792 0.72 SMN1; SMN2 (0.71) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL1752819 0.72 RAB9A (0.62) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL2493590 0.72 RAB9A (0.62) SMN1; SMN2RAB9ANPC1HPGDALDH1A1
SCHEMBL18079705 0.71 SLC1A2 (0.68) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL12694104 0.68 CYP11B1 (0.50) SMN1; SMN2RAB9ANPC1HPGDACHE
SCHEMBL1662278 0.68 HTR1A (0.68) SMN1; SMN2RAB9ANPC1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds HAMANAKA ERNEST S 2006-10-12 US disclosed
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-12-29 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 (3 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-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARA, PPARG, PPARD SMN1; SMN2 3271/4885RAB9A 2581/4885NPC1 50/4885
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD SMN1; SMN2 3404/4885RAB9A 2271/4885NPC1 59/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD SMN1; SMN2 3404/4885RAB9A 2271/4885NPC1 59/4885

“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.