SCHEMBL3465398

SCHEMBL3465398

O=C(O)Cc1ccc(N=Nc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.64
LMNA P02545 2/20 0.61
HTT P42858 2/20 0.61
ABCC4 O15439 1/20 0.61
GAA P10253 1/20 0.61
TSHR P16473 1/20 0.61
PTGS1 P23219 1/20 0.61
MAPT P10636 8/20 0.56
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
ALDH1A1 P00352 4/20 0.56
NPC1 O15118 3/20 0.56
POLB P06746 3/20 0.56
KDM4E B2RXH2 3/20 0.56
CASP6 P55212 2/20 0.56
CTDSP1 Q9GZU7 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPK1 P28482 2/20 0.56
IDO1 P14902 1/20 0.56
RECQL P46063 1/20 0.56

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
SCHEMBL3465399 1.00 AKR1B1 (0.64) AKR1B1LMNAHTTABCC4GAA
SCHEMBL1633998 0.94 CA2 (0.60) AKR1B1LMNAHTTABCC4GAA
SCHEMBL1633999 0.94 CA2 (0.60) AKR1B1LMNAHTTABCC4GAA
SCHEMBL7204862 0.84 MAPT (0.54) AKR1B1LMNAHTTABCC4GAA
SCHEMBL14476949 0.84 MAPT (0.53) AKR1B1LMNAHTTMAPTMEN1
SCHEMBL22637978 0.82 CA2 (0.48) AKR1B1LMNAHTTABCC4GAA
SCHEMBL22637979 0.82 CA2 (0.48) AKR1B1LMNAHTTABCC4GAA
SCHEMBL14462168 0.80 MAPT (0.48) LMNAHTTTSHRMAPTMEN1
Phenylacetic Acid SCHEMBL9449909 0.79 AKR1B1 (1.00) AKR1B1LMNAHTTABCC4GAA
Phenylacetic Acid SCHEMBL1459 0.79 AKR1B1 (1.00) AKR1B1LMNAHTTABCC4GAA

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-8514351-B2 Liquid crystal display HITACHI DISPLAYS, LTD. (JP) 2013-08-20 US disclosed
US-20130005833-A1 PHOTO-RESPONSIVE SUPRAMOLECULAR HYDROGELS NANJING UNIVERSITY (CN) 2013-01-03 US disclosed
WO-2012092718-A1 PHOTO-RESPONSIVE SUPRAMOLECULAR HYDROGELS NANJING UNIVERSITY (CN) 2012-07-12 WO disclosed
US-7804558-B2 Liquid crystal display HITACHI DISPLAYS, LTD. (JP) 2010-09-28 US disclosed
US-20100238377-A1 LIQUID CRYSTAL DISPLAY MAGNOLIA PURPLE CORPORATION (JP) 2010-09-23 US disclosed
US-20080211984-A1 Liquid crystal display device and plasma display device IPS ALPHA SUPPORT CO., LTD. (JP) 2008-09-04 US disclosed
US-20070002211-A1 Liquid crystal display MAGNOLIA PURPLE CORPORATION (JP) 2007-01-04 US disclosed
EP-0828709-B1 NOVEL PHYSICALLY FUNCTIONAL MATERIALS OPTILINK AB (SE) 2002-09-18 EP disclosed
US-6376655-B1 APPLYING EXTERNAL STIMULATION; OPTICAL ANISOTROPY RISO NATIONAL LABORATORY (DK) 2002-04-23 US disclosed
EP-1192142-A1 CYCLO-IMINO DEPSIPEPTIDES AND THEIR UTILIZATION IN CONTROLLING ENDOPARASITES Bayer Aktiengesellschaft (DE) 2002-04-03 EP disclosed
WO-2000076985-A1 CYCLO-IMINO DEPSIPEPTIDES AND THEIR UTILIZATION IN CONTROLLING ENDOPARASITES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-21 WO disclosed
EP-0828709-A1 NOVEL PHYSICALLY FUNCTIONAL MATERIALS FORSKNINGSCENTER RISO (DK) 1998-03-18 EP disclosed
WO-1996038410-A1 NOVEL PHYSICALLY FUNCTIONAL MATERIALS Forskningscenter Risø (DK) 1996-12-05 WO 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 (1 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-20130005833-A1 PHOTO-RESPONSIVE SUPRAMOLECULAR HYDROGELS PASK, AAAS, CRYAA AKR1B1 1019/4885LMNA 3117/4885HTT 768/4885

“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.