SCHEMBL3149296

SCHEMBL3149296

[Li]c1cc2ccccc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.48
ASIC3 Q9UHC3 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
MGLL Q99685 1/20 0.48
BCL2L1 Q07817 1/20 0.47
CA2 P00918 2/20 0.45
APP P05067 2/20 0.44
AGXT P21549 1/20 0.44
ADRB2 P07550 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44

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
SCHEMBL9816202 0.98 CYP2A6 (0.47) CYP2A6ASIC3LOXL2MGLLBCL2L1
SCHEMBL29732980 0.74 APP (0.63) CYP2A6ASIC3LOXL2MGLLBCL2L1
SCHEMBL845603 0.74 APP (0.63) CYP2A6ASIC3LOXL2MGLLBCL2L1
Bromide SCHEMBL29280642 0.73 CYP2A6 (0.47) CYP2A6ASIC3LOXL2MGLLBCL2L1
SCHEMBL734280 0.72 CYP2A6 (0.50) CYP2A6ASIC3LOXL2MGLLBCL2L1
SCHEMBL6651277 0.70 CYP2A6 (0.48) CYP2A6ASIC3LOXL2MGLLBCL2L1
SCHEMBL329714 0.70 CA2 (0.50) CYP2A6ASIC3LOXL2MGLLBCL2L1
SCHEMBL21322484 0.70 CYP2A6 (0.48) CYP2A6ASIC3LOXL2MGLLBCL2L1
SCHEMBL21177766 0.70 CYP2A6 (0.48) CYP2A6ASIC3LOXL2MGLLBCL2L1
SCHEMBL847512 0.70 CYP2A6 (0.59) CYP2A6ASIC3LOXL2MGLLBCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3261782-A None JP disclosed
JP-8208607-A None JP disclosed
CN-110713448-B Preparation method of carbon dioxide-participated dithioacetal 清华大学 2020-08-18 CN disclosed
CN-104395326-B Process for producing borinic acid derivative and novel borinic acid derivative 玛耐科股份有限公司 2017-04-05 CN disclosed
US-9163046-B2 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-10-20 US disclosed
EP-2886548-A1 METHOD FOR PRODUCING BORINIC ACID DERIVATIVE, AND NOVEL BORINIC ACID DERIVATIVE Manac Inc. (JP) 2015-06-24 EP disclosed
US-20150105562-A1 METHOD FOR PREPARING BORINIC ACID DERIVATIVES AND NOVEL BORINIC ACID DERIVATIVES MANAC INC. (JP) 2015-04-16 US disclosed
CN-104395326-A Process for producing borinic acid derivative and novel borinic acid derivative MANAC INC 2015-03-04 CN disclosed
US-20100113717-A1 Process For Producing Substituted Metallocene Compounds For Olefin Polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2010-05-06 US disclosed
US-7709670-B2 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-05-04 US disclosed
EP-0279263-A2 Indole, benzofuran, benzothiophene containing lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1988-08-24 EP disclosed
US-4685783-A Polychromic tetracyclo-spiro-adamatylidene derivatives, and polychromic lens incorporating said compounds THE PLESSEY COMPANY P.L.C. (GB) 1987-08-11 US disclosed
EP-0045196-B1 HERBICIDAL BENZOTHIOPHENE AND BENZOFURAN SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-11-13 EP disclosed
EP-0140540-A2 Photochromic compounds and their uses in photoreactive lenses THE PLESSEY COMPANY plc (GB) 1985-05-08 EP disclosed
US-4391627-A Herbicidal benzothiophene and benzofuran sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-07-05 US disclosed
EP-0045196-A2 Herbicidal benzothiophene and benzofuran sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-02-03 EP disclosed
US-4249014-A ANALGESICS, ANTISPASMODICS, ANTIINFLAMMATORY VASODILATORS INNOTHERA (FR) 1981-02-03 US disclosed
US-4249014-A ANALGESICS, ANTISPASMODICS, ANTIINFLAMMATORY VASODILATORS INNOTHERA (FR) 1981-02-03 US disclosed
US-4186136-A COAGULANTS, ANTISPASMODIC AGENTS, ANALGESICS, ANTIINGLAMMATORY AGENTS, VASODILATION INNOTHERA (FR) 1980-01-29 US disclosed
US-4186136-A COAGULANTS, ANTISPASMODIC AGENTS, ANALGESICS, ANTIINGLAMMATORY AGENTS, VASODILATION INNOTHERA (FR) 1980-01-29 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-20150105562-A1 METHOD FOR PREPARING BORINIC ACID DERIVATIVES AND NOVEL BORINIC ACID DERIVATIVES ADORA2B, TPSAB1, ACVR2B CYP2A6 199/4885ASIC3 1549/4885LOXL2 3350/4885
US-20100113717-A1 Process For Producing Substituted Metallocene Compounds For Olefin Polymerization OSBP, OSBPL3, OSBP2 CYP2A6 518/4885ASIC3 4340/4885LOXL2 278/4885

“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.