SCHEMBL183045

SCHEMBL183045

OCc1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
TSHR P16473 1/20 0.42
KIF11 P52732 1/20 0.41
HDAC2 Q92769 1/20 0.40
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
ERN1 O75460 2/20 0.38
VHL P40337 1/20 0.37
ELOC Q15369 1/20 0.37
ELOB Q15370 1/20 0.37
LTA4H P09960 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL41216 0.84
SCHEMBL679970 0.84 MKNK1 (0.56) MKNK1MKNK2TSHRKIF11HDAC2
SCHEMBL11310791 0.84 MKNK1 (0.56) MKNK1MKNK2TSHRKIF11HDAC2
SCHEMBL27482032 0.81
SCHEMBL8146100 0.81 CA2 (0.50) TSHRCA12CA1CA2CA4
SCHEMBL17200849 0.78 ALDH1A1 (0.35) HRH3
SCHEMBL208526 0.78 ALDH1A1 (0.35) HRH3
SCHEMBL28429295 0.76 CA2 (0.46) TSHRHDAC2LTA4HCA2
SCHEMBL3145128 0.76 MKNK1 (0.47) MKNK1MKNK2TSHRKIF11HDAC2
SCHEMBL3140122 0.76 PRKCI (0.61) TSHRPRSS1PRSS2PRSS3IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA REATA PHARMACEUTICALS, INC. (US) 2021-09-23 US claimed
EP-3807265-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA Reata Pharmaceuticals, Inc. (US) 2021-04-21 EP claimed
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP claimed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US claimed
EP-2049502-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2009-04-22 EP claimed
WO-2008012326-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-31 WO claimed
US-7135487-B2 such as N-2-(4-Bromophenyl)propyl methanesulfonamide; sulfonamidation of the amine; glutamate receptor potentiators ELI LILLY AND COMPANY (US) 2006-11-14 US claimed
US-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2006-08-03 US claimed
EP-1603858-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NeuroSearch A/S (DK) 2005-12-14 EP claimed
EP-1528055-A2 Sulphonamide Derivatives Eli Lilly & Company (US) 2005-05-04 EP claimed
US-6387954-B1 PSYCHOLOGICAL DISORDRS; CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY 2002-05-14 US claimed
US-6358981-B1 FOR THERAPY OF CENTRAL NERVOUS SYSTEM (CNS) DISORDERS ELI LILLY AND COMPANY 2002-03-19 US claimed
US-20020002158-A1 Sulphonamide derivatives ARNOLD MACKLIN B (US) 2002-01-03 US claimed
JP-2001511781-A 2001-08-14 JP claimed
CN-1251523-A Sulfonamide derivatives LILLY CO ELI (US) 2000-04-26 CN claimed
EP-0980864-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 2000-02-23 EP claimed
WO-2000006539-A1 ALKENYL SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO claimed
WO-2000006157-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO claimed
EP-0860428-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 1998-08-26 EP claimed
WO-1998033496-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1998-08-06 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20020002158-A1 Sulphonamide derivatives GRIN2C, GRM1, GRM3 MKNK1 4280/4885MKNK2 4167/4885TSHR 186/4885
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors PDPK1, PI4KA, PIK3CA MKNK1 153/4885MKNK2 136/4885TSHR 4479/4885
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA RORC, RORB, RORA MKNK1 1529/4885MKNK2 1413/4885TSHR 1233/4885
US-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use KCNQ1, KCNQ2, KCNQ5 MKNK1 589/4885MKNK2 500/4885TSHR 2813/4885

“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.