SCHEMBL5236189

SCHEMBL5236189

Cc1ccnc2ccc(OC(F)(F)F)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
PDE10A Q9Y233 2/20 0.43
TGFBR1 P36897 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
USP2 O75604 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GMNN O75496 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL20460397 0.83 RUNX1 (0.54) AAK1LMNARUNX1MAPK1RIPK2
SCHEMBL21101291 0.81 AAK1 (0.42) SMN1; SMN2TGFBR1KDM4CAAK1HRH4
SCHEMBL4271192 0.81 NR4A2 (0.51) SMN1; SMN2TGFBR1KDM4CAAK1HRH4
SCHEMBL2209996 0.81 TRPV1 (0.43) SMN1; SMN2TGFBR1KDM4CAAK1NPC1
SCHEMBL3702216 0.81 TRPV1 (0.46) SMN1; SMN2TGFBR1KDM4CAAK1NPC1
SCHEMBL16289934 0.81 NPC1 (0.41) SMN1; SMN2TGFBR1KDM4CAAK1NPC1
SCHEMBL30880730 0.81 TRPV1 (0.43) SMN1; SMN2TGFBR1KDM4CAAK1NPC1
SCHEMBL1496335 0.80 LMNA (0.59) SMN1; SMN2LMNACYP1A2MAPK1RIPK2
Hydrochloric Acid SCHEMBL30880572 0.79 NPC1 (0.42) SMN1; SMN2TGFBR1KDM4CAAK1NPC1
SCHEMBL13043852 0.77 MAPK7 (0.42) SMN1; SMN2PDE10ANPC1RAB9ALMNA

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
CN-109776406-B Method for cross coupling of ether compound and quinoline derivative 湘潭大学 2021-05-04 CN claimed
CN-110437143-B Benzyl substituted quinoline and derivative and synthesis method thereof 湘潭大学 2022-08-09 CN disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 EP disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 US disclosed
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-01 US disclosed
EP-2813492-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Co., Ltd (JP) 2014-12-17 EP disclosed
EP-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP disclosed
CN-1951939-A Novel pyrrole derivatives as pharmaceutical agents LILLY CO ELI (US) 2007-04-25 CN disclosed
CN-1269820-C Novel pyrrole derivatives as medicaments LILLY CO ELI (US) 2006-08-16 CN disclosed
CN-1511157-A Novel pyrrole derivatives as medicaments 2004-07-07 CN disclosed
WO-2004026302-A1 METHODS OF INHIBITING TGF BETA WITH SUBSTITUTED PYRAZOLES ELI LILLY AND COMPANY (US) 2004-04-01 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 (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-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 SMN1; SMN2 2187/4885PDE10A 2251/4885TGFBR1 1907/4885
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL RPS8, MT-CO2, ARG1 SMN1; SMN2 3476/4885PDE10A 2449/4885TGFBR1 922/4885

“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.