SCHEMBL12418698

SCHEMBL12418698

Cn1c2ccccc2c2cc3c(cc21)c1ccc(Br)cc1n3C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.59
ACHE P22303 2/20 0.54
KIF11 P52732 1/20 0.53
PABPC1 P11940 1/20 0.53
BCHE P06276 1/20 0.51
KDM4E B2RXH2 5/20 0.50
MAPT P10636 5/20 0.50
HPGD P15428 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 2/20 0.50
HTT P42858 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.47
TSHR P16473 1/20 0.44

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
SCHEMBL8011931 0.96 GPR3 (0.64) GPR3ACHEKIF11PABPC1BCHE
SCHEMBL12418696 0.93 GPR3 (0.59) GPR3ACHEKIF11PABPC1BCHE
SCHEMBL5014769 0.90 ACHE (0.41) GPR3ACHEKIF11PABPC1BCHE
SCHEMBL1923381 0.89 GPR3 (0.64) GPR3ACHEKIF11PABPC1BCHE
SCHEMBL29556288 0.86 GPR3 (0.44) GPR3ACHEKIF11PABPC1BCHE
SCHEMBL3281839 0.86 GPR3 (0.44) GPR3ACHEKIF11PABPC1BCHE
SCHEMBL3423941 0.86 GPR3 (0.80) GPR3ACHEKIF11PABPC1BCHE
SCHEMBL15576943 0.83 PSEN1 (0.50)
SCHEMBL9979912 0.82 MAPT (0.43) GPR3ACHEBCHEKDM4EMAPT
SCHEMBL12419781 0.81 GPR3 (0.64) GPR3KIF11PABPC1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003807-B2 organic thin film transistor with a semiconductor layer including the small molecule having didodecylindolo[3,2-b]carbazole groups XEROX CORPORATION (US) 2011-08-23 US disclosed
US-7868186-B2 Device containing polymer having indolocarbazole- repeat unit and divalent linkage XEROX CORPORATION (US) 2011-01-11 US disclosed
US-7829727-B2 Device containing compound having indolocarbazole moiety and divalent linkage XEROX CORPORATION (US) 2010-11-09 US disclosed
US-20100230670-A1 DEVICE CONTAINING COMPOUND HAVING INDOLOCARBAZOLE MOIETY AND DIVALENT LINKAGE XEROX CORPORATION (US) 2010-09-16 US disclosed
US-20090114909-A1 organic thin film transistor with a semiconductor layer including the polymer of 2,8-Bis(2-thienyl)-5,11-didodecylindolo[3,2-b]carbazole; organic photovoltaics XEROX CORPORATION (US) 2009-05-07 US disclosed
US-7528261-B2 Small molecule compound having indolocarbazole moiety and divalent linkage XEROX CORPORATION (US) 2009-05-05 US disclosed
US-20080207917-A1 POLYMER HAVING INDOLOCARBAZOLE MOIETY AND DIVALENT LINKAGE XEROX CORPORATION (US) 2008-08-28 US disclosed
US-7396852-B2 Compound having indolocarbazole moiety and divalent linkage XEROX CORPORATION (US) 2008-07-08 US disclosed
US-20080103314-A1 SMALL MOLECULE COMPOUND HAVING INDOLOCARBAZOLE MOIETY AND DIVALENT LINKAGE XEROX CORPORATION (US) 2008-05-01 US disclosed
US-20070112167-A1 Device containing compound having indolocarbazole moiety and divalent linkage XEROX CORPORATION 2007-05-17 US disclosed
US-20070112172-A1 Compound having indolocarbazole moiety and divalent linkage XEROX CORPORATION 2007-05-17 US 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 (4 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-20070112172-A1 Compound having indolocarbazole moiety and divalent linkage INMT, IDO2, GRIN2C GPR3 1336/4885ACHE 360/4885KIF11 2271/4885
US-20080103314-A1 SMALL MOLECULE COMPOUND HAVING INDOLOCARBAZOLE MOIETY AND DIVALENT LINKAGE SLC43A1, SLC7A5, KCNN2 GPR3 1530/4885ACHE 1858/4885KIF11 2030/4885
US-20100230670-A1 DEVICE CONTAINING COMPOUND HAVING INDOLOCARBAZOLE MOIETY AND DIVALENT LINKAGE BRD4, BICRA, INMT GPR3 2016/4885ACHE 152/4885KIF11 1986/4885
US-20080207917-A1 POLYMER HAVING INDOLOCARBAZOLE MOIETY AND DIVALENT LINKAGE SGTA, MTCL3, SMC3 GPR3 2775/4885ACHE 2677/4885KIF11 1412/4885

“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.