SCHEMBL4604262

SCHEMBL4604262

Cc1ccc(CN(C)CCCCNC(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.48
RAB9A P51151 6/20 0.47
ALDH1A1 P00352 5/20 0.47
NPC1 O15118 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 3/20 0.42
TP53 P04637 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL4606143 0.92 GSK3A (0.51) LCKRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL14538507 0.90 LCK (0.47) LCKRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4604374 0.88 CCR3 (0.50) LCKRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4604183 0.79 GSK3A (0.52) LCKRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4604725 0.79 CHEK1 (0.45) ALDH1A1MAPTHTT
SCHEMBL14538232 0.78 CCR3 (0.49) LCKRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL27740409 0.73 APP (0.48)
SCHEMBL4603379 0.72 CCR3 (0.46)
SCHEMBL4605707 0.69 CCR3 (0.54)
SCHEMBL14538537 0.69 KMT2A (0.41) ALDH1A1SMN1; SMN2LMNAMAPTTP53

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 6 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
US-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
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
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 LCK 2046/4885RAB9A 2140/4885ALDH1A1 906/4885

“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.