SCHEMBL2646977

SCHEMBL2646977

ClCc1nccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.50
CYP2A6 P11509 2/20 0.50
F12 P00748 1/20 0.50
NCF1 P14598 1/20 0.50
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50
BACE1 P56817 1/20 0.50
KMT2A Q03164 2/20 0.47
ACHE P22303 1/20 0.44
MAPT P10636 3/20 0.44
CYP3A4 P08684 3/20 0.44
LMNA P02545 2/20 0.44
APEX1 P27695 1/20 0.44
MAPK1 P28482 1/20 0.44
PMP22 Q01453 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
PLG P00747 1/20 0.42
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 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
Hydrochloric Acid SCHEMBL30050701 0.98 PLAU (0.48) PLAUCYP2A6F12NCF1NOS3
Hydrochloric Acid SCHEMBL10435179 0.98 PLAU (0.48) PLAUCYP2A6F12NCF1NOS3
SCHEMBL8570368 0.84 ACHE (0.49) PLAUCYP2A6F12NCF1NOS3
SCHEMBL3248709 0.79 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL3112515 0.79 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL242954 0.79 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL3294474 0.79 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL243297 0.79 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL3105082 0.79 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL291937 0.79 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63179871-A None JP disclosed
EP-3697747-B1 PROCESS FOR THE CHLORINATION AT THE ALPHA-H POSITION OF ALKYLARENES VARIOUSLY SUBSTITUTED ON THE AROMATIC RING UNIV DEGLI STUDI CAGLIARI (IT) 2022-06-08 EP disclosed
US-11168037-B2 Process for the halogenation at the alpha-h position of alkylarenes variously substituted on the aromatic ring UNIVERSITÀ DEGLI STUDI DI SASSARI (IT) 2021-11-09 US disclosed
US-20210188733-A1 PROCESS FOR THE HALOGENATION AT THE ALPHA-H POSITION OF ALKYLARENES VARIOUSLY SUBSTITUTED ON THE AROMATIC RING UNIVERSITÀ DEGLI STUDI DI CAGLIARI (IT) 2021-06-24 US disclosed
WO-2019077520-A1 PROCESS FOR THE HALOGENATION AT THE ALPHA-H POSITION OF ALKYLARENES VARIOUSLY SUBSTITUTED ON THE AROMATIC RING UNIVERSITA' DEGLI STUDI DI CAGLIARI (IT) 2019-04-25 WO disclosed
US-7732540-B2 Process for producing olefin copolymerization catalyst and process for producing olefin copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-08 US disclosed
EP-1998775-B1 BIS1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR USES AS PHARMACEUTICALS UNIV LIEGE (BE) 2010-05-19 EP disclosed
CN-101490001-A Substituted phenylacetic acids as DP-2 antagonists ICOS CORP (US) 2009-07-22 CN disclosed
US-20090093517-A1 BIS1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR USES AS PHARMACEUTICALS UNIVERSITE DE LIEGE (BE) 2009-04-09 US disclosed
US-20090018012-A1 Process for Producing Olefin Copolymerization Catalyst and Process for Producing Olefin Copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-15 US disclosed
US-6255305-B1 PSYCHOLOGICAL DISORDERS MERCK SHARP & DOHME LIMITED (GB) 2001-07-03 US disclosed
EP-0915875-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1999-05-19 EP disclosed
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
WO-1998004559-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1998-02-05 WO disclosed
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed
JP-S63179871-A SUBSTITUTED ISOQUINOLINE DERIVATIVE AND ANTIULCER AGENT SHIONOGI & CO LTD 1988-07-23 JP disclosed
US-RE32519-E Sulfur-containing isoquinoline derivatives, process for the preparation thereof and pharmaceutical compositions containing them CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA (HU) 1987-10-13 US disclosed
US-4425349-A DIURETICS, ANTIASTHMA, HYPOTENSIVE, ANTIINFLAMMATORY CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1984-01-10 US disclosed
US-4373104-A DIURETICS; ANTIHISTAMINES; ANTINFLAMMATORY AND HYPOTENSIVE AGENTS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA (HU) 1983-02-08 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-20090093517-A1 BIS1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR USES AS PHARMACEUTICALS KCNQ2, KCNQ1, KCNQ3 PLAU 3845/4885CYP2A6 654/4885F12 4072/4885
US-11168037-B2 Process for the halogenation at the alpha-h position of alkylarenes variously substituted on the aromatic ring AHR, DBH, DOHH PLAU 4598/4885CYP2A6 306/4885F12 2892/4885
US-20210188733-A1 PROCESS FOR THE HALOGENATION AT THE ALPHA-H POSITION OF ALKYLARENES VARIOUSLY SUBSTITUTED ON THE AROMATIC RING AHR, DBH, DOHH PLAU 4598/4885CYP2A6 306/4885F12 2892/4885

“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.