SCHEMBL347531

SCHEMBL347531

O=[C]Cc1cc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.58
ASIC3 Q9UHC3 1/20 0.58
LOXL2 Q9Y4K0 1/20 0.58
AGXT P21549 1/20 0.53
ADRB2 P07550 1/20 0.53
ADRA1D P25100 2/20 0.44
BCL2L1 Q07817 1/20 0.43
IDH1 O75874 1/20 0.42
CA2 P00918 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 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
SCHEMBL9852785 0.81 CYP2A6 (0.55) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL274427 0.81 CYP2A6 (0.58) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL1176901 0.78 CYP2A6 (0.64) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL2451527 0.78 CYP2A6 (0.64) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL4961407 0.77 CYP2A6 (0.69) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL5537186 0.77 AGXT (0.62) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL6240752 0.74 CYP2A6 (0.60) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL4889443 0.74 CYP2A6 (0.71) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL2264402 0.74 CYP2A6 (0.54) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL2267370 0.74 CYP2A6 (0.54) CYP2A6ASIC3LOXL2AGXTADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0382411-B1 Delivery of cytotoxic agents LILLY CO ELI (US) 1994-12-07 EP claimed
WO-1994001137-A1 METHOD FOR DELIVERY OF CYTOTOXIC AGENTS AND COMPONENTS THEREOF HYBRITECH INCORPORATED (US) 1994-01-20 WO claimed
EP-0382411-A2 Delivery of cytotoxic agents ELI LILLY AND COMPANY (US) 1990-08-16 EP claimed
EP-2275433-B1 METASTIN DERIVATIVE AND USE THEREOF UNIV KYOTO (JP) 2017-06-07 EP disclosed
US-8778871-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 US disclosed
US-8765909-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-01 US disclosed
US-8592379-B2 Metastin derivative and use thereof KYOTO UNIVERSITY (JP) 2013-11-26 US disclosed
US-8361968-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-29 US disclosed
US-20120015868-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-19 US disclosed
US-20110312898-A1 PROPHYLACTIC / THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-22 US disclosed
EP-2379053-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR CANCER Takeda Pharmaceutical Company Limited (JP) 2011-10-26 EP disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 EP disclosed
US-4576753-A MICROBIOCIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-03-18 US disclosed
US-4472309-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
US-4304718-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 US disclosed
US-4269773-A CEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1981-05-26 US disclosed
US-4264498-A REACTED WITH AN ACID, ITS ACID HALIDE, OR ANHYDRIDE IN THE PRESENCE OF BORON TRIHALIDE AND AN ORGANIC BASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-28 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 US disclosed
US-4159984-A METAL AND PROTON DONOR SHIONOGI & CO., LTD. (JP) 1979-07-03 US disclosed
US-3932393-A 3-Methylenecephalosporins and process for production thereof ELI LILLY AND COMPANY (US) 1976-01-13 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-20120015868-A1 Metastin derivatives and use thereof MET, HGFAC, HGF CYP2A6 4362/4885ASIC3 3544/4885LOXL2 2068/4885
US-20110312898-A1 PROPHYLACTIC / THERAPEUTIC AGENT FOR CANCER KLK3, SHBG, SERPINA3 CYP2A6 2310/4885ASIC3 4678/4885LOXL2 2836/4885

“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.