SCHEMBL1928151

SCHEMBL1928151

Brc1ccc(OCC2CCCO2)nc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
GPR84 Q9NQS5 2/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
CCR5 P51681 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL14988285 0.82 ALOX5AP (0.43) NPC1RAB9AGPR84KMT2APOLB
SCHEMBL20745885 0.81 KDM4E (0.44) GABRA5GPR84ALDH1A1LMNA
SCHEMBL5857777 0.81 GABRA5 (0.37) GABRA5NPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL1928209 0.78 RAB9A (0.54) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL840756 0.78 HCAR3 (0.60) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL14988307 0.77 MAPT (0.47) GABRA5GPR84KMT2APOLBNPSR1
SCHEMBL1929309 0.76 KDM1A (0.45) GABRA5NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20775355 0.76 KDM1A (0.45) GABRA5NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1390734 0.76 KDM1A (0.47) GABRA5NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20775288 0.76 KDM1A (0.42) GABRA5FEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 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 (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-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 GABRA5 1502/4885NPC1 758/4885RAB9A 1662/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 GABRA5 2376/4885NPC1 424/4885RAB9A 319/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 GABRA5 1502/4885NPC1 758/4885RAB9A 1662/4885

“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.