SCHEMBL5595306

SCHEMBL5595306

NC(=O)c1ccc(N)c(O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.55
HSD17B10 Q99714 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
PARP1 P09874 5/20 0.48
KDM4E B2RXH2 3/20 0.45
POLB P06746 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
CA2 P00918 2/20 0.43
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NNMT P40261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ERN1 O75460 1/20 0.42
PARP15 Q460N3 1/20 0.41
PARP14 Q460N5 1/20 0.41

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
SCHEMBL29412590 0.84 HSD17B10 (0.52) HSD17B10CYP3A4ALOX15KDM4EPOLB
SCHEMBL766129 0.84 HSD17B10 (0.52) HSD17B10CYP3A4ALOX15KDM4EPOLB
SCHEMBL15241635 0.83 TOP1 (0.49) LCKGAAMAPTKMT2AMEN1
SCHEMBL180385 0.82 KDM4E (0.64) HSD17B10CYP3A4ALOX15KDM4EPOLB
SCHEMBL3015286 0.82 LCK (0.55) LCKHSD17B10ALOX15PARP1KDM4E
SCHEMBL1428434 0.81 ALDH1A1 (0.49) LCKHSD17B10CYP3A4PARP1KDM4E
Protocatechuamide SCHEMBL1128716 0.81 LCK (0.65) LCKPARP1KDM4EPOLBGAA
SCHEMBL8412857 0.81 ALDH1A1 (0.49) LCKHSD17B10CYP3A4PARP1KDM4E
Hydrochloric Acid SCHEMBL9797575 0.80 MAPT (0.61) HSD17B10CYP3A4ALOX15KDM4EPOLB
SCHEMBL31208309 0.80 PRKCI (0.53) HSD17B10CYP3A4ALOX15KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021061643-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2021-04-01 WO disclosed
US-20200207769-A1 DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2020-07-02 US disclosed
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHE INC. (US) 2020-04-28 US disclosed
US-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2017-02-02 US disclosed
EP-2861566-B1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN LA ROCHE (CH) 2016-12-21 EP disclosed
US-9493486-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHES INC. (US) 2016-11-15 US disclosed
EP-2861566-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE F. Hoffmann-La Roche AG (CH) 2015-04-22 EP disclosed
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2015-04-09 US disclosed
WO-2013186159-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE F. HOFFMANN-LA ROCHE AG (CH) 2013-12-19 WO disclosed
CN-101591298-A Contain 1, hydroxamic acid derivatives, the Preparation Method And The Use of 3-two assorted five-membered ring fused benzenes TIANJIN INST PHARM RESEARCH (CN) 2009-12-02 CN disclosed
US-6005008-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-12-21 US disclosed
CN-1215990-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-05-05 CN disclosed
US-5886044-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-03-23 US disclosed
EP-0896531-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-17 EP disclosed
US-5780483-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1998-07-14 US disclosed
EP-0809492-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP disclosed
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 WO disclosed
WO-1996025157-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-08-22 WO disclosed
US-5514676-A TO INHIBIT THE FORMATION OF ADVANCED GLYCOSLYATION PRODUCTS BY THE NONENZYMATIC CROSSLINKING OF PROTEINS WITH REDUCING SUGARS, USED IN FOOD PRESERVATION AND TO PREVENT PROTEIN AGING IN COLLAGEN OR LENSES IN THE EYE PRESERVATION THE ROCKEFELLER UNIVERSITY (US) 1996-05-07 US disclosed
US-5476849-A Inhibiting advanced glycosylation and/or crosslinking of target protein THE ROCKEFELLER UNIVERSITY (US) 1995-12-19 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 (4 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-20200207769-A1 DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE ENPP2, DAPK1, DAPK2 LCK 3076/4885HSD17B10 3176/4885CYP3A4 3723/4885
US-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE ENPP2, DAPK1, DAPK2 LCK 3284/4885HSD17B10 3129/4885CYP3A4 4106/4885
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane ENPP2, DAPK1, DAPK2 LCK 3076/4885HSD17B10 3176/4885CYP3A4 3723/4885
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE DAPK2, DAPK1, IDH3A LCK 3333/4885HSD17B10 1238/4885CYP3A4 248/4885

“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.