SCHEMBL2118909

SCHEMBL2118909

COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.83
NPC1 O15118 10/20 0.83
SMN1; SMN2 Q16637 4/20 0.83
TP53 P04637 3/20 0.83
ALOX15 P16050 1/20 0.83
ALDH1A1 P00352 5/20 0.68
CYP1A2 P05177 2/20 0.68
KDM4E B2RXH2 1/20 0.68
MAPT P10636 5/20 0.67
KMT2A Q03164 5/20 0.66
MEN1 O00255 3/20 0.66
CYP3A4 P08684 1/20 0.66
GAA P10253 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
LMNA P02545 3/20 0.64
MAPK1 P28482 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
RXFP1 Q9HBX9 1/20 0.64

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
SCHEMBL6799157 0.91 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL674669 0.88 NPC1 (0.86) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL3669771 0.86 PGR (0.67) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL30341896 0.86 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL22192206 0.86 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL6361263 0.86 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8770881 0.86 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8769709 0.86 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL21798720 0.86 KMT2A (0.76) RAB9ANPC1TP53KDM4EMAPT
SCHEMBL3679372 0.86 KMT2A (0.76) RAB9ANPC1TP53KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3728234-B1 RADIOLABELED COMPOUNDS HOFFMANN LA ROCHE (CH) 2025-05-14 EP disclosed
US-11541132-B2 Radiolabeled compounds HOFFMANN-LA ROCHE INC. (US) 2023-01-03 US disclosed
US-11541132-B2 Radiolabeled compounds HOFFMANN-LA ROCHE INC. (US) 2023-01-03 US disclosed
EP-3728234-A1 RADIOLABELED COMPOUNDS F. Hoffmann-La Roche AG (CH) 2020-10-28 EP disclosed
US-20200316232-A1 RADIOLABELED COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
US-20200316232-A1 RADIOLABELED COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
CN-111511732-A Radiolabelled compounds 豪夫迈·罗氏有限公司 2020-08-07 CN disclosed
US-20120094038-A1 USE OF HUMIDITY STABLE YELLOW FLUORESCENT PIGMENTS IN SECURITY APPLICATIONS HONEYWELL INTERNATIONAL INC. (US) 2012-04-19 US disclosed
US-20070208066-A1 ER-beta-selective ligands BARLAAM BERNARD 2007-09-06 US disclosed
US-20070208066-A1 ER-beta-selective ligands BARLAAM BERNARD 2007-09-06 US disclosed
US-20070208066-A1 ER-beta-selective ligands BARLAAM BERNARD 2007-09-06 US disclosed
US-20060111408-A1 Therapeutic benzothiazole compounds BARLAAM BERNARD 2006-05-25 US disclosed
US-20060106074-A1 ER-B-SELECTIVE LIGANDS ASTRAZENECA AB (SE) 2006-05-18 US disclosed
US-7045539-B2 Therapeutic benzoxazole compounds ASTRAZENECA AB (SE) 2006-05-16 US disclosed
EP-1478631-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2004-11-24 EP disclosed
US-20040102435-A1 Therapeutic compounds ASTRAZENECA AB (SE) 2004-05-27 US disclosed
EP-1345914-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2003-09-24 EP disclosed
WO-2003045930-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2003-06-05 WO disclosed
WO-2002051821-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2002-07-04 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 (6 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-20040102435-A1 Therapeutic compounds ESRRA, ESRRG, ESR2 RAB9A 1349/4885NPC1 2588/4885SMN1; SMN2 1899/4885
US-11541132-B2 Radiolabeled compounds SNCA, APP, BACE1 RAB9A 163/4885NPC1 128/4885SMN1; SMN2 410/4885
US-20060106074-A1 ER-B-SELECTIVE LIGANDS ESR2, ESRRB, ESRRA RAB9A 877/4885NPC1 1711/4885SMN1; SMN2 3043/4885
US-20070208066-A1 ER-beta-selective ligands ESR2, ESRRG, ESRRA RAB9A 1262/4885NPC1 2976/4885SMN1; SMN2 1878/4885
US-20200316232-A1 RADIOLABELED COMPOUNDS SNCA, APP, BACE1 RAB9A 160/4885NPC1 137/4885SMN1; SMN2 475/4885
US-20060111408-A1 Therapeutic benzothiazole compounds ESR1, ESR2, ESRRG RAB9A 1897/4885NPC1 3474/4885SMN1; SMN2 2412/4885

“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.