SCHEMBL628094

SCHEMBL628094

N#Cc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.57
NOTUM Q6P988 3/20 0.50
SLC22A12 Q96S37 2/20 0.50
KIF11 P52732 2/20 0.47
VCAM1 P19320 1/20 0.44
IDO1 P14902 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
KDR P35968 1/20 0.43
MAP2K1 Q02750 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
EPHX2 P34913 1/20 0.42
AR P10275 3/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40

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
SCHEMBL30899301 0.84 TRPV4 (0.53) TRPV4NOTUMSLC22A12KIF11VCAM1
SCHEMBL472402 0.84 TRPV4 (0.53) TRPV4NOTUMSLC22A12KIF11VCAM1
SCHEMBL365180 0.81 AR (0.60) NOTUMKIF11KDREPHX2AR
SCHEMBL7569957 0.81 TRPV4 (0.58) TRPV4SLC22A12KIF11ARPDK2
SCHEMBL16663958 0.80 TRPV4 (0.45) TRPV4SLC22A12KIF11VCAM1AR
SCHEMBL16961215 0.80 IDO1 (0.43) TRPV4NOTUMIDO1HTR3EHTR3B
SCHEMBL2520644 0.80 KDR (0.51) TRPV4NOTUMIDO1HTR3EHTR3B
SCHEMBL3457978 0.80 IDO1 (0.43) TRPV4NOTUMSLC22A12IDO1HTR3E
SCHEMBL2944512 0.80 PYCR1 (0.46) TRPV4NOTUMSLC22A12IDO1HTR3E
SCHEMBL7604551 0.79 TRPV4 (0.56) TRPV4SLC22A12KIF11ARPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110799625-B Organic molecules, in particular for optoelectronic devices 辛诺拉有限公司 2021-12-14 CN claimed
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-24 US claimed
EP-3642302-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP claimed
EP-3642302-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES cynora GmbH (DE) 2020-04-29 EP claimed
CN-110799625-A Organic molecules, in particular for optoelectronic devices 辛诺拉有限公司 2020-02-14 CN claimed
WO-2019001838-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-03 WO claimed
US-4822903-A Fluorinated silica catalyst and preparation of aromatic/aliphatic nitriles in the presence thereof RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1989-04-18 US claimed
US-4438042-A FROM AMIDES, FLUORINATE SILCEOUS CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-20 US claimed
US-4436669-A CYANATION, DECARBONYLATION, ACID CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-13 US claimed
WO-2025264724-A1 MPRO INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-12-26 WO disclosed
CN-118652153-A Method for synthesizing organic nitrile compound from aldehyde 国科大杭州高等研究院 2024-09-17 CN disclosed
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
CN-114539141-A Preparation method of sorafenib 南京焕然生物科技有限公司 2022-05-27 CN disclosed
CN-110799625-B Organic molecules, in particular for optoelectronic devices 辛诺拉有限公司 2021-12-14 CN disclosed
US-4504595-A Fluorinated silica catalyst and preparation of aromatic/aliphatic nitriles in the presence thereof RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1985-03-12 US disclosed
US-4493800-A REACTING A TRIFLUOROMETHYLHALOGENOBENZENE WITH COPPER CYANIDE DAIKIN KOGYO CO., LTD. (JP) 1985-01-15 US disclosed
US-4438042-A FROM AMIDES, FLUORINATE SILCEOUS CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-20 US disclosed
US-4436669-A CYANATION, DECARBONYLATION, ACID CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-13 US disclosed
EP-0097357-A1 Process for preparing trifluoromethylbenzene derivatives Daikin Kogyo Co., Ltd. (JP) 1984-01-04 EP disclosed
US-4178383-A Fungicidally active oxime-ethers of isonitrosocyanoacetamides BAYER AKTIENGESELLSCHAFT (DE) 1979-12-11 US 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-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 TRPV4 4525/4885NOTUM 1/4885SLC22A12 2280/4885
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 TRPV4 366/4885NOTUM 1783/4885SLC22A12 1829/4885

“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.