SCHEMBL29754289

SCHEMBL29754289

CC(=O)Oc1ccccc1C(=O)OCCCCCO[N+](=O)[O-]

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.97
TSHR P16473 4/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA9 Q16790 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
ESR1 P03372 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46

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
SCHEMBL23145504 1.00 PTGS2 (0.97) PTGS2TSHRALDH1A1LMNAKDM4E
SCHEMBL5605205 0.99 PTGS2 (1.00) PTGS2TSHRALDH1A1LMNAKDM4E
SCHEMBL10121464 0.93 PTGS2 (0.85) PTGS2TSHRALDH1A1LMNAKDM4E
SCHEMBL15889887 0.91 PTGS2 (0.85) PTGS2TSHRALDH1A1LMNAKDM4E
SCHEMBL554806 0.91 PTGS2 (0.84) PTGS2TSHRALDH1A1LMNAKDM4E
SCHEMBL10121462 0.89 PTGS2 (0.78) PTGS2TSHRALDH1A1LMNAKDM4E
SCHEMBL3029701 0.89 PTGS2 (0.77) PTGS2TSHRALDH1A1LMNAKDM4E
SCHEMBL3033273 0.89 PTGS2 (0.77) PTGS2TSHRALDH1A1LMNAKDM4E
SCHEMBL12715080 0.88 PTGS2 (0.75) PTGS2TSHRALDH1A1LMNAKDM4E
SCHEMBL9446603 0.88 PTGS2 (0.75) PTGS2TSHRALDH1A1LMNAKDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220233501-A1 THERAPEUTIC COMBINATIONS SUPERSALUS INC (US) 2022-07-28 US claimed
US-20260115188-A1 METHODS OF TREATING CENTERAL NERVOUS SYSTEM DISORDERS COMPRISING ADMINISTERING DEUTERATED LUMATEPERONE AND A NITRIC OXIDE DONOR INTRA-CELLULAR THERAPIES, INC. (US) 2026-04-30 US disclosed
US-12478623-B2 Methods of treating central nervous system disorders comprising administering lumateperone and a nitric oxide donor INTRA-CELLULAR THERAPIES, INC. (US) 2025-11-25 US disclosed
WO-2024182375-A1 COMPOSITIONS COMPRISING NITRIC OXIDE-RELEASING COMPOUNDS FOR TREATING CHOROIDAL VASCULAR DISEASES AND METHODS OF THEIR USE OPTICGON LLC (US) 2024-09-06 WO disclosed
US-20240285572-A1 COMPOSITIONS COMPRISING NITRIC OXIDE-RELEASING COMPOUNDS FOR TREATING CHOROIDAL VASCULAR DISEASES AND METHODS OF THEIR USE OPTICGON LLC 2024-08-29 US disclosed
US-20220362241-A1 NOVEL METHODS INTRA-CELLULAR THERAPIES, INC. 2022-11-17 US disclosed
EP-4034119-A1 NOVEL METHODS Intra-Cellular Therapies, Inc. (US) 2022-08-03 EP disclosed
US-20220233501-A1 THERAPEUTIC COMBINATIONS SUPERSALUS INC (US) 2022-07-28 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 (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-20220362241-A1 NOVEL METHODS HTR2A, HTR2C, HTR2B PTGS2 331/4885TSHR 382/4885ALDH1A1 752/4885
US-20260115188-A1 METHODS OF TREATING CENTERAL NERVOUS SYSTEM DISORDERS COMPRISING ADMINISTERING DEUTERATED LUMATEPERONE AND A NITRIC OXIDE DONOR HTR2C, DRD2, HTR2A PTGS2 229/4885TSHR 118/4885ALDH1A1 669/4885
US-12478623-B2 Methods of treating central nervous system disorders comprising administering lumateperone and a nitric oxide donor HTR2A, HTR2C, HTR5A PTGS2 171/4885TSHR 450/4885ALDH1A1 436/4885

“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.