SCHEMBL1926867

SCHEMBL1926867

Clc1cc(Br)ccc1OCC1CCCO1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ CCR5 P51681 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ DRD4 P21917 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ EPHA2 P29317 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL16585014 0.84 TSHR (0.47) RAB9ALMNAKMT2ANPC1HPGD
SCHEMBL14804161 0.82 NPC1 (0.48) RAB9ALMNANPC1HPGDCASP3
SCHEMBL30452353 0.81 DRD4 (0.47) RAB9ALMNAKMT2ANPC1HPGD
SCHEMBL24252895 0.81 DRD4 (0.47) RAB9ALMNAKMT2ANPC1HPGD
SCHEMBL14804190 0.80 MAPT (0.51) RAB9ANPC1HPGDALDH1A1DRD4
SCHEMBL3048656 0.80 NPC1 (0.43) RAB9ANPC1HPGDSMN1; SMN2CASP3
SCHEMBL30140451 0.80 NPC1 (0.43) RAB9ANPC1HPGDSMN1; SMN2CASP3
SCHEMBL13125277 0.79 NPC1 (0.56) RAB9ANPC1HPGDSMN1; SMN2CASP3
SCHEMBL12800784 0.77 NPC1 (0.45) RAB9AKMT2ANPC1HPGDSMN1; SMN2
SCHEMBL1928209 0.76 RAB9A (0.54) RAB9ALMNAKMT2ANPC1HPGD

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 RAB9A 1662/4885LMNA 3591/4885KMT2A 1576/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 RAB9A 319/4885LMNA 3431/4885KMT2A 2712/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 RAB9A 1662/4885LMNA 3591/4885KMT2A 1576/4885

“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.

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