SCHEMBL915087

SCHEMBL915087

CCOc1ccc(-c2cccc3[nH]c(C(=O)NC4CCNCC4)cc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.45
DUSP3 P51452 1/20 0.45
PTPN5 P54829 1/20 0.45
PTPN11 Q06124 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMYD3 Q9H7B4 1/20 0.44
DGAT2 Q96PD7 1/20 0.42
CHEK1 O14757 1/20 0.42
WNT1 P04628 1/20 0.42
DYRK1A Q13627 1/20 0.42
NUDT1 P36639 1/20 0.42
HTR4 Q13639 1/20 0.42
KDM1A O60341 1/20 0.41
PPARG P37231 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL915389 0.89 HTR4 (0.51) RAB9ASMYD3WNT1DYRK1ANUDT1
SCHEMBL916260 0.85 ALDH1A1 (0.45) RAB9AHPGDSMN1; SMN2POLBDUSP3
SCHEMBL913726 0.85 ALDH1A1 (0.45) RAB9AHPGDSMN1; SMN2POLBDUSP3
SCHEMBL914477 0.85 HTR7 (0.42) RAB9AHPGDSMN1; SMN2POLBDUSP3
SCHEMBL915080 0.82 BRD4 (0.49) SMYD3CHEK1WNT1DYRK1ANUDT1
SCHEMBL915180 0.80 DYRK1A (0.40) RAB9ASMN1; SMN2POLBDUSP3PTPN5
SCHEMBL914587 0.80 ALDH1A1 (0.40) RAB9AHPGDSMN1; SMN2POLBDUSP3
SCHEMBL914175 0.79 ALPL (0.50) RAB9AHPGDSMN1; SMN2POLBDUSP3
SCHEMBL915089 0.78 POLB (0.46) RAB9AHPGDSMN1; SMN2POLBDUSP3
SCHEMBL914740 0.75 KDM4E (0.49) SMN1; SMN2POLBKMT2ADYRK1AHTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US disclosed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 EP disclosed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 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 (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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 RAB9A 389/4885HPGD 716/4885SMN1; SMN2 4303/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 RAB9A 389/4885HPGD 770/4885SMN1; SMN2 4263/4885

“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.