SCHEMBL2074995

SCHEMBL2074995

Cc1[nH]c2ccc[c]c2c1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HTT P42858 2/20 0.31
TSHR P16473 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
KDM4E B2RXH2 2/20 0.30
HPGD P15428 2/20 0.30
THRB P10828 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
POLB P06746 1/20 0.30
IMPDH2 P12268 1/20 0.30
GFER P55789 1/20 0.30

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
SCHEMBL9538070 0.77 HTT (0.30) HTT
SCHEMBL9539762 0.77 HTT (0.47) AHRSMN1; SMN2CYP3A4MAPTALDH1A1
SCHEMBL2388664 0.77 ALDH1A1 (0.39) AHRSMN1; SMN2CYP3A4MAPTALDH1A1
SCHEMBL3482864 0.76 ALDH1A1 (0.44) AHRSMN1; SMN2CYP3A4MAPTALDH1A1
SCHEMBL3483178 0.74 ALDH1A1 (0.40) SMN1; SMN2MAPTALDH1A1HTTTSHR
SCHEMBL3483297 0.74 SMN1; SMN2 (0.41) SMN1; SMN2CYP3A4MAPTALDH1A1HTT
SCHEMBL3078539 0.70 HTT (0.38) CYP3A4MAPTALDH1A1HTTTSHR
SCHEMBL24817 0.68 ALDH1A1 (0.54) AHRSMN1; SMN2ALDH1A1HTTCYP1A2
SCHEMBL3482926 0.67 ATM (0.47)
SCHEMBL5652739 0.67 AHR (0.47) AHRSMN1; SMN2MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111747981-A Transition metal compound and preparation method and application thereof 万华化学集团股份有限公司 2020-10-09 CN claimed
US-7902356-B2 Thiazolopyridinone derivates as MCH receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-08 US claimed
EP-1828207-B1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-28 EP claimed
US-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-09-17 US claimed
EP-1828207-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP claimed
WO-2006066174-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 WO claimed
EP-1007518-A4 SOLID AND LIQUID-PHASE SYNTHESIS OF BENZOXAZOLES AND BENZOTHIAZOLES AND THEIR USE SEPRACOR INC (US) 2002-11-06 EP claimed
US-6177572-B1 2-AMIDOPHENOL OR 2-AMIDOTHIOPHENOL IS COUPLED TO A SOLID PHASE SUPPORT THROUGH A LINKER GROUP, SUCH THAT A BENZOXAZOLE OR A BENZOTHIAZOLE IS FORMED SEPRACOR, INC. 2001-01-23 US claimed
EP-1007518-A1 SOLID AND LIQUID-PHASE SYNTHESIS OF BENZOXAZOLES AND BENZOTHIAZOLES AND THEIR USE SEPRACOR, INC. (US) 2000-06-14 EP claimed
WO-1999009017-A1 SOLID AND LIQUID-PHASE SYNTHESIS OF BENZOXAZOLES AND BENZOTHIAZOLES AND THEIR USE SEPRACOR INC. (US) 1999-02-25 WO claimed
CN-111747981-A Transition metal compound and preparation method and application thereof 万华化学集团股份有限公司 2020-10-09 CN disclosed
US-9006225-B2 Stable pharmaceutical composition ASAHI KASEI PHARMA CORPORATION (JP) 2015-04-14 US disclosed
US-7902356-B2 Thiazolopyridinone derivates as MCH receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-08 US disclosed
EP-2236135-A1 STABLE PHARMACEUTICAL COMPOSITION Asahi Kasei Pharma Corporation (JP) 2010-10-06 EP disclosed
US-7692046-B2 Heterogeneous arylalkyl oxidation promoter EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-04-06 US disclosed
EP-0280951-A1 Amino-propanol derivatives, process for their preparation and medicines containing these compounds, as well as intermediates Roche Diagnostics GmbH (DE) 1988-09-07 EP disclosed
EP-0200915-A1 Aminopropanol derivatives, process for their preparation, their use and medicines containing them Roche Diagnostics GmbH (DE) 1986-11-12 EP disclosed
EP-0004532-B1 1-ARYLOXY-3-NITRATOALKYLAMINO-2-PROPANOLS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS MERCK PATENT GmbH (DE) 1981-10-14 EP disclosed
US-4288452-A 1-Aryloxy-3-nitratoalkylamino-2-propanols and use as β-receptor blocker MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-09-08 US disclosed
EP-0004532-A1 1-Aryloxy-3-nitratoalkylamino-2-propanols, process for their preparation and pharmaceutical compositions MERCK PATENT GmbH (DE) 1979-10-17 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 (1 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-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R AHR 71/4885SMN1; SMN2 2461/4885CYP3A4 2404/4885

“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.