SCHEMBL4606198

SCHEMBL4606198

Cc1nc(NC(=O)Oc2ccccc2)sc1C(=O)N(C)C

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
RAB9A P51151 6/20 0.61
NPC1 O15118 3/20 0.57
SMN1; SMN2 Q16637 5/20 0.55
HPGD P15428 4/20 0.55
POLB P06746 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TP53 P04637 2/20 0.54
HTT P42858 1/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 1/20 0.53
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL1013991 0.86 RAB9A (0.67) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL6672199 0.84 RAB9A (0.65) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL19651320 0.81 NPC1 (0.62) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL2513223 0.80 CCNE1 (0.53) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL2511636 0.79 CCNE1 (0.52) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL14568924 0.78 LCK (0.73) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3580881 0.77 POLB (0.63) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL4605012 0.76 ALDH1A1 (0.69) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL773361 0.74 LCK (0.59) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL5607979 0.74 RAB9A (0.56) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD

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-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
EP-1943235-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Novartis AG (CH) 2008-07-16 EP disclosed
WO-2007048771-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY NOVARTIS AG (CH) 2007-05-03 WO 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-20080306067-A1 Modulators of Chemokine Receptor Activity CCR3, CCR1, CCR4 ALDH1A1 906/4885RAB9A 2140/4885NPC1 848/4885

“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.