SCHEMBL207189

SCHEMBL207189

Cc1ccc2[c]c[nH]c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HTR2A P28223 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.32
NR4A2 P43354 1/20 0.32
DAO P14920 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
DDO Q99489 1/20 0.32
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL207651 0.76 AHR (0.43) CYP1A2NOS3NOS1NOS2NR4A2
SCHEMBL207535 0.74 AHR (0.42) CYP2A6NOS1HTR2ANR4A2ALDH1A1
SCHEMBL1968319 0.74 MEN1 (0.47) CA12CA9CYP1A2RXFP1HTR2A
SCHEMBL6345184 0.70 HPGD (0.47) KMT2APOLBUSP2ALDH1A1HPGD
SCHEMBL6954043 0.69 HSD17B10 (0.42) KIF11CA12CA9CYP1A2KMT2A
SCHEMBL17423817 0.69
SCHEMBL6015959 0.69 MEN1 (0.32) KMT2APOLB
SCHEMBL25289152 0.68 KDM4E (0.45) KIF11CA12CA9HTR2ANR4A2
SCHEMBL4502393 0.68 KDM4E (0.49) CA12CA9KMT2APOLBALDH1A1
SCHEMBL9537298 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-10-26 US claimed
CN-111533767-A Tetradentate phosphine ligand and preparation method thereof, hydroformylation catalyst and reaction method, and preparation method of 1, 3-propylene glycol 卢海元 2020-08-14 CN claimed
EP-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 EP claimed
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP claimed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP claimed
US-6333339-B1 CENTRAL SYSTEM DISORDERS, SCHIZOPHRENIA AND COGNITION ACTIVATORS MERCK PATENT GELLSCHAFT MIT BESCHRANKTER (DE) 2001-12-25 US claimed
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US claimed
EP-0958287-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP claimed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO claimed
US-4870087-A Indole containing, 2-thienyl-1,2,3,6-tetrahydropyridyls and their pharmaceutical use MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-09-26 US claimed
US-4617309-A Sulfur-containing indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-14 US claimed
US-11931412-B2 JAK1 inhibitors and uses thereof WASHINGTON UNIVERSITY (US) 2024-03-19 US disclosed
US-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-10-26 US disclosed
CN-115181053-A Preparation method of chiral tetraaryl substituted methane 香港科技大学深圳研究院 2022-10-14 CN disclosed
US-20210338812-A1 JAK1 INHIBITORS AND USES THEREOF WASHINGTON UNIVERSITY (US) 2021-11-04 US disclosed
US-4617309-A Sulfur-containing indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-14 US disclosed
EP-0105397-B1 SULPHURIC INDOLE DERIVATIVES MERCK PATENT GmbH (DE) 1986-07-16 EP disclosed
EP-0121716-A1 Indole derivatives MERCK PATENT GmbH (DE) 1984-10-17 EP disclosed
EP-0114603-A1 Indole derivatives MERCK PATENT GmbH (DE) 1984-08-01 EP disclosed
EP-0105397-A1 Sulphuric indole derivatives MERCK PATENT GmbH (DE) 1984-04-18 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 (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-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS CSNK1A1, CSNK1D, CSNK1G1 KIF11 2376/4885CA12 2407/4885CA9 1199/4885
US-20210338812-A1 JAK1 INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 KIF11 3015/4885CA12 4421/4885CA9 4545/4885
US-11931412-B2 JAK1 inhibitors and uses thereof JAK1, JAK3, JAK2 KIF11 3953/4885CA12 4713/4885CA9 4689/4885

“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.