SCHEMBL2038155

SCHEMBL2038155

c1cc2c3c(c1)ccn3CCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
MCL1 Q07820 3/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
HTR3A P46098 4/20 0.33
LMNA P02545 2/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
NOTUM Q6P988 1/20 0.33
BCL2L1 Q07817 2/20 0.33
LIPG Q9Y5X9 2/20 0.33
PDK1 Q15118 1/20 0.33
ADRB1 P08588 1/20 0.33
BCL2 P10415 1/20 0.32

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
SCHEMBL30023373 1.00 PARP1 (0.41) PARP1NISCHHTR2AHTR2CMCL1
SCHEMBL18202252 0.89 PARP1 (0.40) PARP1NISCHHTR2AHTR2CMCL1
SCHEMBL30542732 0.76 MCL1 (0.43) PARP1HTR2AHTR2CMCL1ITGB2
SCHEMBL5620080 0.76 MCL1 (0.43) PARP1HTR2AHTR2CMCL1ITGB2
SCHEMBL17553824 0.71 PARP1 (0.40) PARP1NISCHHTR3AHTT
SCHEMBL4837610 0.71 HTR3A (0.37) HTR2AHTR2CMCL1ITGB2ICAM1
SCHEMBL19921263 0.71 PARP1 (0.37) PARP1NISCHHTR3A
SCHEMBL31256887 0.68 PRKCQ (0.42) HTR2AHTR2CMCL1ITGB2ICAM1
SCHEMBL8364278 0.68 PARP1 (0.37) PARP1NISCHHTR2AHTR2CHTR3A
SCHEMBL16059334 0.68 PARP1 (0.44) PARP1HTR2AHTR2CMCL1ITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030018056-A1 Substituted guanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2003-01-23 US claimed
EP-1238971-A1 SUBSTITUTED GUANIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-09-11 EP claimed
US-20250059217-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF PREPARATION THEREOF BRIGHT MINDS BIOSCIENCES INC. (CA) 2025-02-20 US disclosed
EP-4347561-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF PREPARATION THEREOF Bright Minds Biosciences Inc. (CA) 2024-04-10 EP disclosed
EP-3298003-B1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2023-04-19 EP disclosed
WO-2022246554-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF PREPARATION THEREOF BRIGHT MINDS BIOSCIENCES INC. (CA) 2022-12-01 WO disclosed
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-27 US disclosed
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-27 US disclosed
US-20200095227-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-26 US disclosed
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-09-10 US disclosed
EP-3143015-B1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMA INC (US) 2019-02-20 EP disclosed
WO-2005089754-A1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR AKZO NOBEL N.V. (NL) 2005-09-29 WO disclosed
US-6734205-B2 SODIUM CHANNEL MODERATORS; CARDIOVASCULAR DISORDERS; ANTIDIABETIC AGENTS SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2004-05-11 US disclosed
US-20030018056-A1 Substituted guanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2003-01-23 US disclosed
EP-1238971-A1 SUBSTITUTED GUANIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-09-11 EP disclosed
US-5112820-A Vision defects STERLING DRUG INC. (US) 1992-05-12 US disclosed
US-5109135-A 2- or 3-aminomethyl-4-amino-3,4-dihydro-2H-1,4-benzoxazine intermediates STERLING DRUG INC. (US) 1992-04-28 US disclosed
US-5066803-A Chemical intermediates for analgesics STERLING DRUG INC. (US) 1991-11-19 US disclosed
WO-1990007505-A1 2- AND 3-AMINOMETHYL-6-ARYLCARBONYL-2,3-DIHYDROPYRROLO[1,2,3-de]-1,4-BENZOXAZINES STERLING DRUG INC. (US) 1990-07-12 WO disclosed
US-4939138-A 2- and 3-aminomethyl-6-arylcarbonyl-2,3-dihydropyrrolo(1,2,3-DE)-1,4-benzoxazines STERLING DRUG INC. (US) 1990-07-03 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 (5 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-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 PARP1 50/4885NISCH 4232/4885HTR2A 4841/4885
US-20250059217-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF PREPARATION THEREOF OPRL1, OPRK1, CNR2 PARP1 742/4885NISCH 1286/4885HTR2A 413/4885
US-20200095227-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS PADI4, PADI1, PADI2 PARP1 50/4885NISCH 4232/4885HTR2A 4841/4885
US-20030018056-A1 Substituted guanidine derivatives SLC28A1, SLC7A1, ABCB11 PARP1 1943/4885NISCH 1121/4885HTR2A 1048/4885
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 PARP1 50/4885NISCH 4232/4885HTR2A 4841/4885

“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.