SCHEMBL46191

SCHEMBL46191

CC(C)(C)c1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.64
RAB9A P51151 9/20 0.64
KDM4E B2RXH2 6/20 0.64
S1PR1 P21453 2/20 0.58
TSHR P16473 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 4/20 0.56
HSD17B10 Q99714 3/20 0.56
LMNA P02545 3/20 0.56
GAA P10253 2/20 0.56
DGAT1 O75907 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP1A2 P05177 2/20 0.54
MAPT P10636 5/20 0.53
TP53 P04637 5/20 0.53
NR1H4 Q96RI1 1/20 0.50
EGFR P00533 1/20 0.49
NOTUM Q6P988 1/20 0.47

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
SCHEMBL3293191 0.90 NPC1 (0.75) NPC1RAB9AKDM4ES1PR1TSHR
SCHEMBL2623780 0.90 NPC1 (0.75) NPC1RAB9AKDM4ES1PR1TSHR
SCHEMBL1104799 0.88 NPC1 (0.72) NPC1RAB9AKDM4ES1PR1SMN1; SMN2
SCHEMBL6296907 0.88 NPC1 (0.72) NPC1RAB9AKDM4ES1PR1SMN1; SMN2
SCHEMBL460873 0.85 NPC1 (0.68) NPC1RAB9AKDM4ES1PR1TSHR
SCHEMBL12427246 0.85 NPC1 (0.68) NPC1RAB9AKDM4ES1PR1TSHR
SCHEMBL2245998 0.84 DGAT1 (0.72) NPC1RAB9AKDM4ETSHRSMN1; SMN2
SCHEMBL9610048 0.84 DGAT1 (0.72) NPC1RAB9AKDM4ETSHRSMN1; SMN2
SCHEMBL2463498 0.84 RAB9A (0.71) NPC1RAB9AKDM4ES1PR1TSHR
SCHEMBL10035781 0.83 NPC1 (0.66) NPC1RAB9AKDM4ES1PR1TSHR

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041200-B1 NOVEL ELECTROLUMINESCENT POLYMERS FOR ELECTRONIC APPLICATIONS UDC IRELAND LTD (IE) 2018-03-07 EP disclosed
EP-2041200-B1 NOVEL ELECTROLUMINESCENT POLYMERS FOR ELECTRONIC APPLICATIONS UDC IRELAND LTD (IE) 2018-03-07 EP disclosed
US-9598450-B2 Emissive compounds for organic light-emitting diodes NITTO DENKO CORPORATION (JP) 2017-03-21 US disclosed
US-9598450-B2 Emissive compounds for organic light-emitting diodes NITTO DENKO CORPORATION (JP) 2017-03-21 US disclosed
US-9598450-B2 Emissive compounds for organic light-emitting diodes NITTO DENKO CORPORATION (JP) 2017-03-21 US disclosed
CN-104211656-A Organic semiconductor material, preparation method, and electroluminescent device OCEANS KING LIGHTING SCIENCE 2014-12-17 CN disclosed
US-8475939-B2 m-terphenyl compound derivatives and application for organic light emitting diode NATIONAL TSING HUA UNIVERSITY (TW) 2013-07-02 US disclosed
US-20130087772-A1 EMISSIVE COMPOUNDS FOR ORGANIC LIGHT-EMITTING DIODES NITTO DENKO CORPORATION (JP) 2013-04-11 US disclosed
US-20130087772-A1 EMISSIVE COMPOUNDS FOR ORGANIC LIGHT-EMITTING DIODES NITTO DENKO CORPORATION (JP) 2013-04-11 US disclosed
US-20130087772-A1 EMISSIVE COMPOUNDS FOR ORGANIC LIGHT-EMITTING DIODES NITTO DENKO CORPORATION (JP) 2013-04-11 US disclosed
US-20110220880-A1 m-TERPHENYL COMPOUND DERIVATIVES AND APPLICATION FOR ORGANIC LIGHT EMITTING DIODE E INK HOLDINGS INC. (TW) 2011-09-15 US disclosed
CN-101139317-B Organic semiconductor material containing carbazole unit and synthesis UNIV NANJING POSTS & TELECOMM 2011-09-07 CN disclosed
US-20090309068-A1 NOVEL ELECTROLUMINESCENT POLYMERS FOR ELECTRONIC APPLICATIONS UDC IRELAND LIMITED (IE) 2009-12-17 US disclosed
US-20090309068-A1 NOVEL ELECTROLUMINESCENT POLYMERS FOR ELECTRONIC APPLICATIONS UDC IRELAND LIMITED (IE) 2009-12-17 US disclosed
US-20090309068-A1 NOVEL ELECTROLUMINESCENT POLYMERS FOR ELECTRONIC APPLICATIONS UDC IRELAND LIMITED (IE) 2009-12-17 US disclosed
EP-2041200-A1 NOVEL ELECTROLUMINESCENT POLYMERS FOR ELECTRONIC APPLICATIONS Ciba Holding Inc. (CH) 2009-04-01 EP disclosed
CN-100467465-C Functionalized picolinic acid double dentate anion ligand and its annular metal iridium complex and uses UNIV XIANGTAN (CN) 2009-03-11 CN disclosed
CN-101139317-A Organic semiconductor material containing carbazole unit and synthesis UNIV NANJING POSTS & TELECOMM (CN) 2008-03-12 CN disclosed
WO-2008006743-A1 NOVEL ELECTROLUMINESCENT POLYMERS FOR ELECTRONIC APPLICATIONS CIBA HOLDING INC (CH) 2008-01-17 WO disclosed
CN-1966502-A Functionalized picolinic acid double dentate anion ligand and its annular metal iridium complex and uses UNIV XIANGTAN (CN) 2007-05-23 CN 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 (2 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-20130087772-A1 EMISSIVE COMPOUNDS FOR ORGANIC LIGHT-EMITTING DIODES CRY2, PPOX, CRY1 NPC1 4619/4885RAB9A 3381/4885KDM4E 2868/4885
US-20110220880-A1 m-TERPHENYL COMPOUND DERIVATIVES AND APPLICATION FOR ORGANIC LIGHT EMITTING DIODE CLTB, CYBA, C5 NPC1 425/4885RAB9A 2484/4885KDM4E 4240/4885

“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.