SCHEMBL4897549

SCHEMBL4897549

FC(F)(F)c1cccc(-c2cc[c]s2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.41
IDO1 P14902 1/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
SCN2A Q99250 2/20 0.41
MAOB P27338 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
HTR2C P28335 2/20 0.40
CTSS P25774 1/20 0.40
KDM1A O60341 1/20 0.40
ALOX15 P16050 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IL2 P60568 1/20 0.39
KIF11 P52732 1/20 0.39
GAA P10253 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38

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
SCHEMBL2751379 0.85 RXRA (0.37) S1PR1
SCHEMBL694899 0.83 KIF11 (0.43) TSHRMAOBKIF11
SCHEMBL1416554 0.78 HSD17B1 (0.47) NOTUMIDO1RAB9ANPC1
SCHEMBL10718522 0.77 KIF11 (0.39) TSHRKIF11
SCHEMBL385688 0.76 ALDH1A1 (0.38) MAPK1RAB9ANPC1GAA
SCHEMBL29678302 0.76 TSHR (0.58) NOTUMIDO1MAPK1TSHRSCN2A
SCHEMBL1263144 0.76 TSHR (0.58) NOTUMIDO1MAPK1TSHRSCN2A
SCHEMBL1416534 0.74 ACHE (0.41) IDO1TSHRRAB9ANPC1
SCHEMBL1416520 0.74 ALOX5 (0.40) NOTUMIDO1TSHRMAOBRAB9A
Ammonia Solution, Strong SCHEMBL20472961 0.74 MAOB (0.56) NOTUMIDO1MAPK1TSHRSCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114213353-A Aryl-oxazole-oxazoline compound and preparation method and application thereof 贵州大学 2022-03-22 CN claimed
US-20060178403-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-08-10 US claimed
WO-2004081005-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-09-23 WO claimed
EP-1161438-A1 6-O-SUBSTITUTED MACROLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 2001-12-12 EP claimed
WO-2000055168-A1 6-O-SUBSTITUTED MACROLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 2000-09-21 WO claimed
CN-114213353-B Aryl-oxazole-oxazoline compound and preparation method and application thereof 贵州大学 2023-04-14 CN disclosed
CN-114213353-A Aryl-oxazole-oxazoline compound and preparation method and application thereof 贵州大学 2022-03-22 CN disclosed
US-20080214394-A1 N-(4-Pyridyl)Methylsulfonamides For Combating Arthropodal Pests BASF AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
EP-1161438-A1 6-O-SUBSTITUTED MACROLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 2001-12-12 EP disclosed
WO-2000055168-A1 6-O-SUBSTITUTED MACROLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 2000-09-21 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-20060178403-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto MCHR1, MCHR2, MC1R NOTUM 1796/4885IDO1 493/4885MAPK1 2816/4885
US-20080214394-A1 N-(4-Pyridyl)Methylsulfonamides For Combating Arthropodal Pests C1S, C5, HRH4 NOTUM 1880/4885IDO1 1062/4885MAPK1 2234/4885

“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.