SCHEMBL764794

SCHEMBL764794

Cc1cc(F)c(C)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 8/20 0.37
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
SELE P16581 1/20 0.32
ACHE P22303 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NFE2L2 Q16236 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL19322647 0.83 TYMP (0.33) RAPGEF4MEN1NPC1LMNAHTT
SCHEMBL19807357 0.83 AHR (0.40) RAPGEF4MEN1NPC1LMNAHTT
SCHEMBL26234359 0.82 NMT1 (0.37) HDAC1HDAC6MEN1LMNAHTT
SCHEMBL30668 0.80 HDAC1 (0.48) RAPGEF4HDAC1HDAC6SELLSELP
SCHEMBL1004002 0.80 ACHE (0.40) RAPGEF4SELLSELPSELEACHE
SCHEMBL16373692 0.79 RAPGEF4 (0.39) RAPGEF4HDAC1HDAC6SELLSELP
SCHEMBL16545830 0.79 RAPGEF4 (0.39) RAPGEF4SELLSELPSELEMEN1
SCHEMBL12121733 0.79 RAPGEF4 (0.35) RAPGEF4HDAC1HDAC6
SCHEMBL21728879 0.79 ALDH1A1 (0.41) RAPGEF4HDAC1HDAC6MEN1NPC1
SCHEMBL19853528 0.78 HDAC1 (0.33) RAPGEF4HDAC1HDAC6MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
US-11834599-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-12-05 US disclosed
US-11834599-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-12-05 US disclosed
US-20230313043-A1 OPTICAL COMPONENT MERCK PATENT GMBH (DE) 2023-10-05 US disclosed
WO-2023117724-A1 ISOTHIOCYANATOETHYNYLBENZENE DERIVATIVES MERCK PATENT GMBH (DE) 2023-06-29 WO disclosed
EP-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 EP disclosed
WO-2022129018-A1 HETEROAROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2022-06-23 WO disclosed
WO-2022128845-A1 HETEROAROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2022-06-23 WO disclosed
WO-2022090099-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2022-05-05 WO disclosed
US-7314874-B2 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide;modified amidine elements of high potency in vitro, excellent pharmacological and pharmaceutical properties in vivo MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-7285565-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-23 US disclosed
US-7285565-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-23 US disclosed
EP-1762605-A1 Naphthalene compound with terminal hydrogen, liquid crystal composition including the compound, and LCD device including the liquid crystal composition Chisso Petrochemial Corporation (JP) 2007-03-14 EP disclosed
US-20070051919-A1 NAPHTHALENE COMPOUND WITH TERMINAL HYDROGEN, LIQUID CRYSTAL COMPOSITION INCLUDING THE COMPOUND, AND LCD DEVICE INCLUDING THE LIQUID CRYSTAL COMPOSITION CHISSO PETROCHEMICAL CORPORATION (JP) 2007-03-08 US disclosed
US-20070051919-A1 NAPHTHALENE COMPOUND WITH TERMINAL HYDROGEN, LIQUID CRYSTAL COMPOSITION INCLUDING THE COMPOUND, AND LCD DEVICE INCLUDING THE LIQUID CRYSTAL COMPOSITION CHISSO PETROCHEMICAL CORPORATION (JP) 2007-03-08 US disclosed
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility MILLENNIUM PHARMACEUTICALS, INC. 2007-01-25 US disclosed
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility MILLENNIUM PHARMACEUTICALS, INC. 2007-01-25 US disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 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 (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-20070051919-A1 NAPHTHALENE COMPOUND WITH TERMINAL HYDROGEN, LIQUID CRYSTAL COMPOSITION INCLUDING THE COMPOUND, AND LCD DEVICE INCLUDING THE LIQUID CRYSTAL COMPOSITION LEF1, CFD, FOXO1 RAPGEF4 3777/4885HDAC1 2263/4885HDAC6 3099/4885
US-20240072425-A1 AROMATIC ISOTHIOCYANATES TRPA1, TRPC1, CRY1 RAPGEF4 2669/4885HDAC1 1957/4885HDAC6 2436/4885
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility F2, TFPI, PLG RAPGEF4 3414/4885HDAC1 193/4885HDAC6 810/4885

“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.