SCHEMBL4517587

SCHEMBL4517587

O=C(Nc1ccccc1)c1cccc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 1.00
KCNK3 O14649 2/20 0.88
MAPT P10636 2/20 0.79
P2RX1 P51575 2/20 0.77
PTGS1 P23219 3/20 0.76
RAB9A P51151 3/20 0.74
MEN1 O00255 2/20 0.74
HTT P42858 2/20 0.74
KMT2A Q03164 2/20 0.74
KCNK9 Q9NPC2 1/20 0.72
RXFP1 Q9HBX9 2/20 0.71
NPC1 O15118 1/20 0.71
ALDH1A1 P00352 1/20 0.66
KCNQ3 O43525 1/20 0.66
KCNQ2 O43526 1/20 0.66
KCNE1 P15382 1/20 0.66
KCNQ1 P51787 1/20 0.66
KCNQ5 Q9NR82 1/20 0.66
GAA P10253 1/20 0.65
RHOC P08134 1/20 0.64

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
SCHEMBL30739929 1.00 LMNA (1.00) LMNAKCNK3MAPTP2RX1PTGS1
SCHEMBL4286068 0.92 MAPT (0.94) LMNAKCNK3MAPTP2RX1PTGS1
SCHEMBL28668959 0.91 LMNA (0.83) LMNAKCNK3MAPTP2RX1PTGS1
SCHEMBL4683413 0.90 KCNK3 (0.88) LMNAKCNK3MAPTP2RX1PTGS1
SCHEMBL24073967 0.90 KCNK3 (0.82) LMNAKCNK3MAPTP2RX1PTGS1
SCHEMBL2494871 0.89 KCNK3 (0.81) LMNAKCNK3MAPTP2RX1PTGS1
Hydrochloric Acid SCHEMBL29693050 0.89 KCNK3 (0.86) LMNAKCNK3MAPTP2RX1PTGS1
Hydrochloric Acid SCHEMBL2106595 0.88 KCNK3 (0.79) LMNAKCNK3MAPTP2RX1PTGS1
SCHEMBL13601058 0.88 LMNA (0.78) LMNAKCNK3MAPTP2RX1PTGS1
SCHEMBL30739967 0.88 LMNA (0.78) LMNAKCNK3MAPTP2RX1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10344032-B2 Agents for treating neurogenic inflammation and neuropathic hyperalgesia related disorders PÉCSI TUDOMÁNYEGYETEM (HU) 2019-07-09 US claimed
EP-3194399-B1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS PECSI TUDOMANYEGYETEM (HU) 2019-04-10 EP claimed
US-20170260187-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS PÉCSI TUDOMÁNYEGYETEM (HU) 2017-09-14 US claimed
EP-3194399-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS Pécsi Tudományegyetem (HU) 2017-07-26 EP claimed
WO-2016042349-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS PÉCSI TUDOMÁNYEGYETEM (HU) 2016-03-24 WO claimed
CN-113445066-B Method for electrochemically synthesizing ortho-trifluoromethyl substituted aniline by using continuous flow 南京先进生物材料与过程装备研究院有限公司 2022-12-20 CN disclosed
CN-114222574-A Inhibition of USP36 瓦洛健康股份有限公司 2022-03-22 CN disclosed
CN-113445066-A Method for electrochemically synthesizing ortho-trifluoromethyl substituted aniline by using continuous flow 南京先进生物材料与过程装备研究院有限公司 2021-09-28 CN disclosed
US-10344032-B2 Agents for treating neurogenic inflammation and neuropathic hyperalgesia related disorders PÉCSI TUDOMÁNYEGYETEM (HU) 2019-07-09 US disclosed
EP-3194399-B1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS PECSI TUDOMANYEGYETEM (HU) 2019-04-10 EP disclosed
US-20170260187-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS PÉCSI TUDOMÁNYEGYETEM (HU) 2017-09-14 US disclosed
EP-3194399-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS Pécsi Tudományegyetem (HU) 2017-07-26 EP disclosed
WO-2016042349-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS PÉCSI TUDOMÁNYEGYETEM (HU) 2016-03-24 WO disclosed
US-7589089-B2 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. (US) 2009-09-15 US disclosed
US-20080058331-A1 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. 2008-03-06 US disclosed
EP-0725302-B1 A process of producing a polyimide block copolymer JAPAN SYNTHETIC RUBBER CO LTD (JP) 2002-04-03 EP disclosed
EP-0725302-A2 A process of producing a polyimide block copolymer JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1996-08-07 EP 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 (3 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-10344032-B2 Agents for treating neurogenic inflammation and neuropathic hyperalgesia related disorders TRPV1, P2RX3, P2RX7 LMNA 3011/4885KCNK3 485/4885MAPT 340/4885
US-20080058331-A1 Inhibitors for GlyT-1 GLRA1, SLC1A2, AGXT LMNA 2399/4885KCNK3 1594/4885MAPT 236/4885
US-20170260187-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS TRPV1, P2RX3, P2RX4 LMNA 2768/4885KCNK3 370/4885MAPT 473/4885

“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.