SCHEMBL6201625

SCHEMBL6201625

O=C(Cc1ccc(Cl)cc1)c1ccc(Br)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.71
NPC1 O15118 2/20 0.71
L3MBTL1 Q9Y468 2/20 0.69
MAPT P10636 2/20 0.68
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
GSK3B P49841 4/20 0.55
EGFR P00533 2/20 0.53
ERBB2 P04626 2/20 0.53
GPR183 P32249 1/20 0.51
CNR1 P21554 1/20 0.49
PIK3CA P42336 2/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL5318356 1.00 RAB9A (0.71) RAB9ANPC1L3MBTL1MAPTKMT2A
SCHEMBL8584136 0.90 GSK3B (0.61) RAB9ANPC1L3MBTL1MAPTKMT2A
SCHEMBL29985867 0.90 GSK3B (0.61) RAB9ANPC1L3MBTL1MAPTKMT2A
SCHEMBL1753283 0.90 RAB9A (0.85) RAB9ANPC1L3MBTL1MAPTKMT2A
SCHEMBL8044783 0.83 NPC1 (0.68) RAB9ANPC1L3MBTL1MAPTLMNA
SCHEMBL10649146 0.83 RAB9A (1.00) RAB9ANPC1L3MBTL1MAPTKMT2A
SCHEMBL5725840 0.83 RAB9A (1.00) RAB9ANPC1L3MBTL1MAPTKMT2A
SCHEMBL7854876 0.83 NPC1 (0.68) RAB9ANPC1L3MBTL1MAPTLMNA
SCHEMBL1393818 0.83 L3MBTL1 (0.76) RAB9ANPC1L3MBTL1MAPTKMT2A
SCHEMBL11687127 0.82 MAPT (0.60) RAB9ANPC1L3MBTL1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10556907-B2 Fused heterocyclic compounds as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2020-02-11 US disclosed
EP-3341369-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Inc. (US) 2018-07-04 EP disclosed
WO-2017036978-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS ABBVIE INC. (US) 2017-03-09 WO disclosed
US-20170057966-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-02 US disclosed
US-8871208-B2 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors and uses thereof ABBVIE INC. (US) 2014-10-28 US disclosed
US-8871208-B2 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors and uses thereof ABBVIE INC. (US) 2014-10-28 US disclosed
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed
CN-86105597-A Make the method for novel pyrazoline compounds 1987-02-25 CN disclosed
EP-0207728-A2 Novel pyrazoline compounds, process for production thereof, and insecticides containing them as active ingredients MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-01-07 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 (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-20170057966-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS S1PR1, S1PR2, S1PR3 RAB9A 2001/4885NPC1 167/4885L3MBTL1 3316/4885
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF HSD11B1, HSD17B1, HSD11B2 RAB9A 2716/4885NPC1 1985/4885L3MBTL1 3678/4885
US-10556907-B2 Fused heterocyclic compounds as S1P modulators S1PR1, S1PR2, S1PR3 RAB9A 2001/4885NPC1 167/4885L3MBTL1 3316/4885

“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.