SCHEMBL782680

SCHEMBL782680

Nc1cc2c(cc1Br)-c1ccccc1C2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 2/20 0.56
NPC1 O15118 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
SRD5A2 P31213 1/20 0.42
MAOA P21397 2/20 0.41
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 3/20 0.40
TSHR P16473 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL12213267 0.86 TYMS (0.39) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL24730419 0.84 RAB9A (0.53) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL10902957 0.84 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL14176047 0.78 KDM4E (0.56) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL5058433 0.77 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL5016641 0.77 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL18582934 0.77 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL30912172 0.77 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL2362632 0.76 RAB9A (0.84) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL1806266 0.76 L3MBTL1 (0.56) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9537105-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-01-03 US disclosed
US-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 US disclosed
WO-2010136109-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-12-02 WO disclosed
US-7709547-B2 Ink composition, inkjet recording method, printed material, production method of a planographic printing plate and planographic printing plate FUJIFILM CORPORATION (JP) 2010-05-04 US disclosed
EP-1787809-B1 Ink composition, inkjet recording method, printed material, production method of a planographic printing plate and planographic printing plate FUJIFILM CORP (JP) 2008-08-13 EP disclosed
US-20070115326-A1 Ink composition, inkjet recording method, printed material, production method of a planographic printing plate and planographic printing plate FUJIFILM CORPORATION 2007-05-24 US disclosed
EP-1787809-A1 Ink composition, inkjet recording method, printed material, production method of a planographic printing plate and planographic printing plate Fujifilm Corporation (JP) 2007-05-23 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 (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-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 RAB9A 2982/4885SMN1; SMN2 4462/4885ALDH1A1 1226/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 RAB9A 2982/4885SMN1; SMN2 4462/4885ALDH1A1 1226/4885

“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.