SCHEMBL3027487

SCHEMBL3027487

O=Cc1ccc2c(c1)OCC(=O)N2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50
MMP12 P39900 1/20 0.50
ALDH1A1 P00352 5/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PARP1 P09874 2/20 0.46
NR3C2 P08235 2/20 0.46
KIF11 P52732 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
DRD2 P14416 4/20 0.45
DRD4 P21917 4/20 0.45
DRD3 P35462 4/20 0.45
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL531838 0.88 MMP12 (0.61) MMP12ALDH1A1HSD17B10TDP1KMT2A
SCHEMBL27443097 0.85 CYP11B1 (0.49) CYP11B1CYP11B2MMP12ALDH1A1KMT2A
SCHEMBL13932054 0.79 NR3C2 (0.59) MMP12ALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL4267779 0.79 NR3C2 (0.59) MMP12ALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL24508992 0.78 KIF11 (0.54) CYP11B1CYP11B2MMP12ALDH1A1KMT2A
SCHEMBL276741 0.77 MMP12 (0.51) CYP11B1CYP11B2MMP12ALDH1A1KMT2A
SCHEMBL3594625 0.77 MMP12 (0.51) CYP11B1CYP11B2MMP12ALDH1A1KMT2A
SCHEMBL30336661 0.77 MMP12 (0.51) CYP11B1CYP11B2MMP12ALDH1A1KMT2A
SCHEMBL30799148 0.77 MMP12 (0.51) CYP11B1CYP11B2MMP12ALDH1A1KMT2A
SCHEMBL1861248 0.77 NR3C2 (0.57) CYP11B1CYP11B2MMP12PARP1NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11603349-B2 Anti-fibrotic compounds CERTA THERAPEUTICS PTY LTD (AU) 2023-03-14 US disclosed
US-11584742-B2 Substituted aminothiazoles as inhibitors of nucleases MASARYKOVA UNIVERZITA (CZ) 2023-02-21 US disclosed
US-11584742-B2 Substituted aminothiazoles as inhibitors of nucleases MASARYKOVA UNIVERZITA (CZ) 2023-02-21 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20220106327-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-07 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
US-20220002282-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2022-01-06 US disclosed
US-20220002282-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2022-01-06 US disclosed
EP-3556755-B1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES UNIV MASARYKOVA (CZ) 2021-11-17 EP disclosed
EP-3556755-B1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES UNIV MASARYKOVA (CZ) 2021-11-17 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 US disclosed
US-20100203039-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION 2010-08-12 US disclosed
US-7700624-B2 3-aminocyclopentanecrboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2010-04-20 US disclosed
EP-1971576-A2 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS Incyte Corporation (US) 2008-09-24 EP disclosed
US-20070149532-A1 3-Aminocyclopentanecarboxamides as Modulators of Chemokine Receptors INCYTE CORPORATION 2007-06-28 US disclosed
WO-2007072201-A2 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2007-06-28 WO disclosed
WO-2005051934-A1 ANTITHROMBOTIC COMPOUNDS WITH DUAL FUNCTION UNIVERSITY OF LJUBLJANA (SI) 2005-06-09 WO disclosed
EP-0906294-B1 BENZOXAZINONE DOPAMINE D4 RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2003-01-29 EP disclosed
US-6177422-B1 ANTIPSYCHOTIC AGENT WITH REDUCED SIDE EFFECTS WARNER-LAMBERT COMPANY 2001-01-23 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 (7 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-11584742-B2 Substituted aminothiazoles as inhibitors of nucleases RNASEH1, DNASE1, FEN1 CYP11B1 4531/4885CYP11B2 4783/4885MMP12 2647/4885
US-20220106327-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, PNLIP, APOB CYP11B1 2226/4885CYP11B2 2685/4885MMP12 1121/4885
US-11603349-B2 Anti-fibrotic compounds TGFB1, SMAD3, TGFB2 CYP11B1 1773/4885CYP11B2 1832/4885MMP12 23/4885
US-20100203039-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS CCR5, ACKR3, CXCR3 CYP11B1 858/4885CYP11B2 901/4885MMP12 302/4885
US-20070149532-A1 3-Aminocyclopentanecarboxamides as Modulators of Chemokine Receptors CCR5, CCR2, ACKR3 CYP11B1 829/4885CYP11B2 896/4885MMP12 280/4885
US-20220002282-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES RNASEH1, DNASE1, FEN1 CYP11B1 4531/4885CYP11B2 4783/4885MMP12 2647/4885
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity TOP2A, TOP1, TOP2B CYP11B1 1880/4885CYP11B2 1753/4885MMP12 1798/4885

“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.