SCHEMBL507426

SCHEMBL507426

NCc1ccc2ccsc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.71
LOXL2 Q9Y4K0 3/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
LTA4H P09960 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
TPSAB1 Q15661 1/20 0.37
ASIC3 Q9UHC3 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL12569411 0.84 CYP2A6 (0.52) CYP2A6SLC6A2SLC6A3PNMT
SCHEMBL112311 0.83 CYP2A6 (1.00) CYP2A6LOXL2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL23088146 0.82 CYP2A6 (0.96) CYP2A6LOXL2SLC6A2SLC6A4SLC6A3
SCHEMBL7465357 0.79 CYP2A6 (0.46) CYP2A6SLC6A2SLC6A4SLC6A3MRGPRX4
SCHEMBL3150204 0.79 CYP2A6 (0.46) CYP2A6CA12CA2CA3CA4
SCHEMBL8058490 0.79 CYP2A6 (0.46) CYP2A6SLC6A2SLC6A4SLC6A3MRGPRX4
SCHEMBL154793 0.79 CYP2A6 (0.47) CYP2A6SLC6A2SLC6A4SLC6A3CA12
SCHEMBL3810731 0.76 KDM4E (0.44) CYP2A6CA12CA1CA2CA4
SCHEMBL29833385 0.76 CYP2A6 (0.43) CYP2A6TPSAB1MRGPRX4OPRM1OPRK1
SCHEMBL3799097 0.76 CYP2A6 (0.43) CYP2A6CA12CA2MRGPRX4OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12221441-B2 Plasma kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-02-11 US disclosed
EP-4477220-A2 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2024-12-18 EP disclosed
EP-4031547-B1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-07-17 EP disclosed
EP-4031547-B1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-07-17 EP disclosed
US-20230391773-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-07 US disclosed
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-17 US disclosed
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-17 US disclosed
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-17 US disclosed
EP-4031547-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2022-07-27 EP disclosed
WO-2021055621-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2021-03-25 WO disclosed
US-7547691-B2 [4-(Benzo[B]thiophen-2-yl) Pyrimidin-2-yl]-amine derivatives as IKK-beta inhibitors for the treatment of cancer and inflammatory diseases ELI LILLY AND COMPANY (US) 2009-06-16 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US disclosed
US-20080306082-A1 [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases ELI LILLY AND COMPANY 2008-12-11 US disclosed
EP-1874295-A1 BENZOTHIOPHENE DERIVATIVES Merck & Co., Inc. (US) 2008-01-09 EP disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2006115845-A1 BENZOTHIOPHENE DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 WO disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO 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 (6 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 CYP2A6 799/4885LOXL2 2266/4885SLC6A2 259/4885
US-20080306082-A1 [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases NFKBIA, IKBKB, IKBKG CYP2A6 3408/4885LOXL2 2555/4885SLC6A2 4602/4885
US-12221441-B2 Plasma kallikrein inhibitors and uses thereof KLKB1, KLK1, KLK5 CYP2A6 2270/4885LOXL2 1414/4885SLC6A2 3686/4885
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof KLKB1, KLK1, KLK5 CYP2A6 2270/4885LOXL2 1414/4885SLC6A2 3686/4885
US-20090082308-A1 Benzothiophene derivatives BRDT, HDAC5, BRPF3 CYP2A6 1481/4885LOXL2 1601/4885SLC6A2 2370/4885
US-20230391773-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF KLKB1, KLK1, KLK5 CYP2A6 2270/4885LOXL2 1414/4885SLC6A2 3686/4885

“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.