SCHEMBL4608172

SCHEMBL4608172

Brc1ccc(-c2ccccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
MAPK1 P28482 2/20 0.54
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SLC6A3 Q01959 1/20 0.38
NR1H4 Q96RI1 1/20 0.35
PTPRC P08575 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
HPGD P15428 2/20 0.33
MCL1 Q07820 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
CES2 O00748 1/20 0.33

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
SCHEMBL15662355 1.00 ALDH1A1 (0.54) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL15662815 1.00 ALDH1A1 (0.54) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL16577756 1.00 ALDH1A1 (0.54) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL17700993 0.98 ALDH1A1 (0.52) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL5918737 0.96 ALDH1A1 (0.54) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL66251 0.96 ALDH1A1 (0.54) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL15525343 0.96 ALDH1A1 (0.46) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL18859311 0.95 ALDH1A1 (0.45) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL8577005 0.94 ALDH1A1 (0.43) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL5918721 0.93 ALDH1A1 (0.46) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0031054-B1 SOIL DISINFECTANT COMPOSITION, A METHOD FOR PREVENTING AND CONTROLLING DISEASES IN SOIL AND CERTAIN PHENYLPHOSPHINIC ACID SALTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-02-29 EP claimed
US-20240294761-A1 DUAL CURE ORGANOPOLYSILOXANE COMPOSITION WITH SHELF-LIFE STABILITY DOW SILICONES CORPORATION 2024-09-05 US disclosed
US-20230347333-A1 Membranes FUJIFILM CORPORATION (JP) 2023-11-02 US disclosed
WO-2020126263-A1 MOULDED PART AND CROSSLINKABLE COMPOSITION FOR FORMING THE MOULDED PART REHAU AG + CO (DE) 2020-06-25 WO disclosed
US-9713585-B2 Nail coatings having enhanced adhesion CREATIVE NAIL DESIGN, INC. (US) 2017-07-25 US disclosed
US-20170056313-A1 NAIL COATINGS HAVING ENHANCED ADHESION CREATIVE NAIL DESIGN, INC. (US) 2017-03-02 US disclosed
US-20160109209-A1 LENS FOR SIGHTING DEVICE FERGUSON RICKY C (US) 2016-04-21 US disclosed
US-20160067164-A1 NAIL COATINGS HAVING ENHANCED ADHESION MUFG BANK LTD. AS AGENT 2016-03-10 US disclosed
EP-2988721-A1 NAIL COATINGS HAVING ENHANCED ADHESION Creative Nail Design, Inc. (US) 2016-03-02 EP disclosed
US-9194657-B1 Lens for sighting device FERGUSON RICKY C (US) 2015-11-24 US disclosed
WO-2014176275-A1 NAIL COATINGS HAVING ENHANCED ADHESION CREATIVE NAIL DESIGN, INC. (US) 2014-10-30 WO disclosed
EP-1948288-A2 BALLOON CATHETER WITH ELASTIC SEGMENT Abbott Laboratories Vascular Enterprises Limited (IE) 2008-07-30 EP disclosed
EP-1292641-B1 Use of polyamide compositions LANXESS DEUTSCHLAND GMBH (DE) 2007-10-03 EP disclosed
WO-2007054364-A2 BALLOON CATHETER WITH ELASTIC SEGMENT ABBOTT LABORATORIES VASCULAR ENTERPRISES LIMITED (IE) 2007-05-18 WO disclosed
US-6803394-B2 ACRYLATED POLYURETHANE; PROTECTIVE COATINGS GEL PRODUCTS, INC. 2004-10-12 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 (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-20160067164-A1 NAIL COATINGS HAVING ENHANCED ADHESION PIK3C3, POLR1C, NACA ALDH1A1 2316/4885MAPK1 3158/4885NPC1 4854/4885
US-20170056313-A1 NAIL COATINGS HAVING ENHANCED ADHESION POLR1C, PIK3C3, NACA ALDH1A1 1567/4885MAPK1 3333/4885NPC1 4881/4885

“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.