SCHEMBL668922

SCHEMBL668922

Cc1cc(C(=O)Cl)cc(C)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.41
HTT P42858 1/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PROKR1 Q8TCW9 1/20 0.36
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
Hydrochloric Acid SCHEMBL11078335 0.98 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPK1POLBHTT
SCHEMBL348783 0.87 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPK1POLBHTT
SCHEMBL18362996 0.85 NOS3 (0.48) SMN1; SMN2ALDH1A1MAPK1POLBHTT
SCHEMBL1424792 0.82 NOS3 (0.36) SMN1; SMN2ALDH1A1MAPK1POLBHTT
SCHEMBL829075 0.78 UHRF1 (0.46) ALDH1A1PROKR1KDM4EMAPT
SCHEMBL5762468 0.77 NPC1 (0.50) SMN1; SMN2ALDH1A1MAPK1HTTNPC1
SCHEMBL1179149 0.77 TPMT (0.56) SMN1; SMN2ALDH1A1MAPK1HTTNPC1
Hydrochloric Acid SCHEMBL4416579 0.76 UHRF1 (0.45) ALDH1A1PROKR1KDM4EMAPT
Ethane SCHEMBL29138437 0.75 ALDH1A1 (0.37) ALDH1A1
SCHEMBL1179736 0.75 POLB (0.50) SMN1; SMN2POLBHTTKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2714668-B9 THIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2017-06-14 EP disclosed
EP-2714668-B1 THIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2017-01-18 EP disclosed
EP-1601642-B1 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2017-01-04 EP disclosed
EP-2463269-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-09-28 EP disclosed
US-9359289-B2 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2016-06-07 US disclosed
US-20160039750-A1 Bioavailable Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex INTREXON CORPORATION (US) 2016-02-11 US disclosed
US-9255273-B2 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2016-02-09 US disclosed
US-9249114-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2016-02-02 US disclosed
EP-2460786-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-01-13 EP disclosed
US-9169210-B2 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2015-10-27 US disclosed
EP-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 EP disclosed
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 US disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO disclosed
US-5580872-A ADMINISTERING IN THE TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1996-12-03 US disclosed
EP-0723545-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-07-31 EP disclosed
WO-1995010519-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1995-04-20 WO disclosed
EP-0527889-A4 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LAB (US) 1994-08-10 EP disclosed
EP-0527889-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1993-02-24 EP disclosed
WO-1991016894-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1991-11-14 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-20160039750-A1 Bioavailable Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex NR2E3, NR5A1, NR5A2 SMN1; SMN2 4577/4885ALDH1A1 3129/4885MAPK1 4182/4885

“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.