SCHEMBL1893045

SCHEMBL1893045

CN(Cc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 2/20 0.52
RAB9A P51151 4/20 0.50
NPC1 O15118 2/20 0.50
HPGD P15428 2/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
LSS P48449 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 2/20 0.47
TSHR P16473 1/20 0.47
MAOB P27338 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL3132202 0.86 ALDH1A1 (0.59) PYCR1RAB9ANPC1HPGDCA12
SCHEMBL31411911 0.84 NCEH1 (0.46) PYCR1RAB9ANPC1HPGDCA12
SCHEMBL3236512 0.83 RAB9A (0.50) RAB9ANPC1HPGDCA12CA9
SCHEMBL26087008 0.83 ALDH1A1 (0.56) RAB9ANPC1HPGDCA12CA9
SCHEMBL11209189 0.81 RAB9A (0.52) RAB9ANPC1HPGDCA12CA9
SCHEMBL1935803 0.81 RAB9A (0.52) RAB9ANPC1HPGDCA12CA9
SCHEMBL180384 0.80 NPC1 (0.73) RAB9ANPC1HPGDCA12CA9
SCHEMBL2634610 0.80 RIPK1 (0.64) PYCR1RAB9ANPC1HPGDCA12
SCHEMBL23275292 0.79 RAB9A (0.50) PYCR1RAB9ANPC1HPGDCA12
SCHEMBL4806015 0.79 RAB9A (0.50) RAB9ANPC1HPGDCA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11998610-B2 Conjugates and methods of using the same FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2024-06-04 US disclosed
EP-3836971-A1 CONJUGATES AND METHODS OF USING THE SAME Flagship Pioneering Innovations V, Inc. (US) 2021-06-23 EP disclosed
US-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-06-03 US disclosed
US-10766890-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2020-09-08 US disclosed
CN-111205310-A Heterocyclic fused pyrimidine derivative, and pharmaceutical composition and application thereof 上海迪诺医药科技有限公司 2020-05-29 CN disclosed
WO-2020037009-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2020-02-20 WO disclosed
US-20180265484-A1 HEPATITIS B CORE PROTEIN MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2018-09-20 US disclosed
EP-2496558-B1 TETRAHYDROQUINOLINES DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-03-30 EP disclosed
EP-2496558-A1 THETRAHYDROQUINOLINES DERIVATIVES AS BROMODOMAIN INHIBITORS GlaxoSmithKline LLC (US) 2012-09-12 EP disclosed
US-20110112081-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-05-12 US disclosed
US-20100216758-A1 Pyridone Compounds MSD K.K. (JP) 2010-08-26 US disclosed
EP-1916239-A1 PYRIDONE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-30 EP 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-20110112081-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 PYCR1 1415/4885RAB9A 3155/4885NPC1 4305/4885
US-11998610-B2 Conjugates and methods of using the same CD47, CD44, CD74 PYCR1 1388/4885RAB9A 2560/4885NPC1 2432/4885
US-20180265484-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS PYCR1 4407/4885RAB9A 1073/4885NPC1 447/4885
US-20100216758-A1 Pyridone Compounds NPY1R, MC5R, MC1R PYCR1 30/4885RAB9A 4085/4885NPC1 3941/4885
US-10766890-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS PYCR1 4407/4885RAB9A 1073/4885NPC1 447/4885
US-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME CD47, CD44, CD74 PYCR1 1388/4885RAB9A 2560/4885NPC1 2432/4885

“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.