SCHEMBL2883020

SCHEMBL2883020

CONC(=O)c1c[c]ccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
LOXL2 Q9Y4K0 3/20 0.33
LOX P28300 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.33
GABRR1 P24046 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6665089 0.81 RAB9A (0.42) MAPTKMT2AALDH1A1POLBNPC1
SCHEMBL129118 0.79 TSHR (0.57) TSHRMAPTALDH1A1POLBNPC1
SCHEMBL161002 0.79 HDAC8 (0.48) TSHRCA2HTTSMN1; SMN2
SCHEMBL10716721 0.79 KDM4E (0.48) MAPTALDH1A1POLBCA1CA2
SCHEMBL160225 0.79 NPSR1 (0.47) KMT2AALDH1A1RAB9AMEN1SMN1; SMN2
SCHEMBL4586265 0.79 PRSS1 (0.33) TSHRKMT2A
SCHEMBL4801662 0.78 ALDH1A1 (0.42) TSHRMAPTKMT2AALDH1A1POLB
SCHEMBL8752363 0.77 MAPT (0.42) TSHRMAPTKMT2AALDH1A1POLB
SCHEMBL6159654 0.77 HDAC6 (0.56) CA1
SCHEMBL1416098 0.77 HPGD (0.59) KMT2AALDH1A1NPC1RAB9ALOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US claimed
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 WO claimed
US-5637780-A Method for preparing alkylating agents and their use for alkylating cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-06-10 US claimed
EP-0767770-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-04-16 EP claimed
WO-1996000708-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-11 WO claimed
EP-0068295-B1 A NEW HERBICIDAL COMPOSITION, PROCESSES FOR ITS PRODUCTION AND ITS USE A. Nattermann & Cie. GmbH (DE) 1985-08-28 EP claimed
EP-0068295-A1 A new herbicidal composition, processes for its production and its use A. Nattermann & Cie. GmbH (DE) 1983-01-05 EP claimed
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 WO disclosed
US-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MSD K.K. (JP) 2010-12-23 US disclosed
US-7329681-B2 Inhibitors of IMPDH enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-02-12 US disclosed
US-20050282876-A1 Ligands for Inosine-5'-monophosphate dehydrogenase; antiviral, antiinflammatory, antibiotics, transplant rejection, autoimmune disease, , antipsoriatic immunosuppressants; 3-uriedo benzyl carbamate derivatives; high potency, side effects reduction; bioavailability; antivascular hyperproliferative VERTEX PHARMACEUTICALS INCORPORATED 2005-12-22 US disclosed
US-6967214-B2 Inhibitors of IMPDH enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-11-22 US disclosed
US-5637780-A Method for preparing alkylating agents and their use for alkylating cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-06-10 US disclosed
EP-0767770-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-04-16 EP disclosed
WO-1996000708-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-11 WO disclosed
US-5129950-A Modulation of membrane dependent metabolism A NATTERMANN & CIE GMBH (DE) 1992-07-14 US disclosed
EP-0250583-A1 USE OF MEMBRANE MODULATORS AND PRODUCTS COMPRISING SUCH MEMBRANE MODULATORS A. Nattermann & Cie. GmbH (DE) 1988-01-07 EP disclosed
WO-1987004048-A1 USE OF MEMBRANE MODULATORS AND PRODUCTS COMPRISING SUCH MEMBRANE MODULATORS A. NATTERMANN & CIE GMBH (DE) 1987-07-16 WO disclosed
EP-0068295-B1 A NEW HERBICIDAL COMPOSITION, PROCESSES FOR ITS PRODUCTION AND ITS USE A. Nattermann & Cie. GmbH (DE) 1985-08-28 EP 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-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 TSHR 4032/4885MAPT 66/4885KMT2A 361/4885
US-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MC1R, MCHR1, MCHR2 TSHR 68/4885MAPT 3948/4885KMT2A 443/4885
US-20050282876-A1 Ligands for Inosine-5'-monophosphate dehydrogenase; antiviral, antiinflammatory, antibiotics, transplant rejection, autoimmune disease, , antipsoriatic immunosuppressants; 3-uriedo benzyl carbamate derivatives; high potency, side effects reduction; bioavailability; antivascular hyperproliferative IMPDH1, IMPDH2, UMPS TSHR 4058/4885MAPT 2804/4885KMT2A 2808/4885

“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.