SCHEMBL945134

SCHEMBL945134

Nc1cccc2c1CCO2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
SLC9A1 P19634 6/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC9A5 Q14940 1/20 0.38
SLC9A2 Q9UBY0 1/20 0.38
LMNA P02545 2/20 0.38
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
CD44 P16070 1/20 0.37
MTNR1B P49286 5/20 0.36
KIF11 P52732 1/20 0.36
PARP1 P09874 1/20 0.35
MTNR1A P48039 3/20 0.35

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
Bromide SCHEMBL2483355 0.98 ITGB2 (0.41) ITGB2ICAM1ITGALSLC9A1MEN1
SCHEMBL29509471 0.88 ACHE (0.40) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL2481284 0.88 ACHE (0.40) ITGB2ICAM1ITGALLMNACRHBP
Hydrochloric Acid SCHEMBL30361650 0.86 ACHE (0.39) ITGB2ICAM1ITGALLMNACRHBP
Oxalic Acid SCHEMBL15844457 0.79 MTNR1A (0.39) SLC9A1MEN1KMT2ASLC9A5SLC9A2
SCHEMBL2938129 0.76 MAOA (0.38) SLC9A1MEN1KMT2ASLC9A5SLC9A2
SCHEMBL23735384 0.75 CD44 (0.47) ITGB2ICAM1ITGALSLC9A1LMNA
Cadaverine Tartrate SCHEMBL14810396 0.74 MTNR1A (0.36) SLC9A1MEN1KMT2ASLC9A5SLC9A2
SCHEMBL8081108 0.74 MAP3K14 (0.47) ITGB2ICAM1ITGALSLC9A1MEN1
SCHEMBL964309 0.74 ITGB2 (0.42) ITGB2ICAM1ITGALSLC9A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483456-B Method for synthesizing ramelteon 武汉大学 2021-03-16 CN claimed
CN-110483456-A The synthetic method of ramelteon UNIV WUHAN 2019-11-22 CN claimed
WO-2026103888-A1 PYRIMIDIN-2(1H)-ONE DERIVATIVE, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 上海青润医药科技有限公司 2026-05-21 WO disclosed
US-20260138985-A1 Azepino-Indoles for the Treatment of Neurological and Psychiatric Disorders TERRAN BIOSCIENCES INC (US) 2026-05-21 US disclosed
CN-122036626-A Pyrimidine-2 (1H) -ketone derivative, pharmaceutical composition and application thereof 上海青润医药科技有限公司 2026-05-15 CN disclosed
WO-2026098560-A2 BENZENE-CONTAINING POLYCYCLIC DERIVATIVE MODULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2026-05-15 WO disclosed
US-20250326767-A1 NOVEL BENZOTHIAZOLE DERIVATIVES CARNA BIOSCIENCES, INC. (JP) 2025-10-23 US disclosed
US-20250221979-A1 NOVEL HETEROCYCLIC COMPOUND SHOUYAO HOLDINGS BEIJING CO LTD (CN) 2025-07-10 US disclosed
US-20250115581-A1 SUBSTITUTED PIPERIDINES AS CK1A DEGRADERS MONTE ROSA THERAPEUTICS AG (CH) 2025-04-10 US disclosed
US-20250115618-A1 SULFONIMIDAMIDE COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY GENENTECH, INC. (US) 2025-04-10 US disclosed
US-12234245-B2 Sulfonimidamide compounds as inhibitors of interleukin-1 activity GENENTECH, INC. (US) 2025-02-25 US disclosed
EP-1202964-A1 CONDENSED INDOLINE DERIVATIVES AND THEIR USE AS 5HT, IN PARTICULAR 5HT2C, RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2002-05-08 EP disclosed
WO-2001012602-A1 CONDENSED INDOLINE DERIVATIVES AND THEIR USE AS 5HT, IN PARTICULAR 5HT2C, RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2001-02-22 WO disclosed
US-5633276-A MELATONIN SYSTEM DISORDERS GLAXO GROUP LIMITED (GB) 1997-05-27 US disclosed
EP-0736028-A1 INDOLINE DERIVATIVES, METHOD OF PREPARATION AND THEIR USE AS PHARMACEUTICALS GLAXO GROUP LIMITED (GB) 1996-10-09 EP disclosed
WO-1995017405-A1 INDOLINE DERIVATIVES, METHOD OF PREPARATION AND THEIR USE AS PHARMACEUTICALS GLAXO GROUP LIMITED (GB) 1995-06-29 WO disclosed
EP-0079683-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-05-06 EP disclosed
US-4514211-A HERBICIDES, PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-30 US disclosed
EP-0079683-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-05-25 EP disclosed
US-3963717-A ANTIINFLAMMATORY, ANALGESIC SANDOZ, INC. (US) 1976-06-15 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 (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-20260138985-A1 Azepino-Indoles for the Treatment of Neurological and Psychiatric Disorders TPH2, TPH1, HTR1D ITGB2 2481/4885ICAM1 2192/4885ITGAL 3476/4885
US-20250115581-A1 SUBSTITUTED PIPERIDINES AS CK1A DEGRADERS CKS1B, CSNK1A1, CKS2 ITGB2 4374/4885ICAM1 3973/4885ITGAL 4349/4885
US-20250326767-A1 NOVEL BENZOTHIAZOLE DERIVATIVES DYRK1A, DYRK4, DYRK2 ITGB2 4525/4885ICAM1 4214/4885ITGAL 4392/4885
US-20250115618-A1 SULFONIMIDAMIDE COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY IL1A, IL18, IL1B ITGB2 4488/4885ICAM1 191/4885ITGAL 4527/4885
US-20250221979-A1 NOVEL HETEROCYCLIC COMPOUND MAPT, MNAT1, MAT2A ITGB2 3815/4885ICAM1 4867/4885ITGAL 4821/4885
US-12234245-B2 Sulfonimidamide compounds as inhibitors of interleukin-1 activity IL1A, IL18, IL1B ITGB2 4488/4885ICAM1 191/4885ITGAL 4527/4885

“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.