SCHEMBL2413616

SCHEMBL2413616

CC(=O)CC(=O)NC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.60
EPHX1 P07099 6/20 0.59
HPGD P15428 2/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 2/20 0.57
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
EPHX2 P34913 2/20 0.54
MAPT P10636 1/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP3A4 P08684 1/20 0.54
LMNA P02545 1/20 0.53

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
SCHEMBL11569599 1.00 NPSR1 (0.60) NPSR1EPHX1HPGDKMT2ASMN1; SMN2
SCHEMBL11570524 1.00 NPSR1 (0.60) NPSR1EPHX1HPGDKMT2ASMN1; SMN2
SCHEMBL2412758 0.98 SMN1; SMN2 (0.59) NPSR1EPHX1HPGDKMT2ASMN1; SMN2
SCHEMBL2416229 0.93 SMN1; SMN2 (0.54) NPSR1EPHX1HPGDKMT2ASMN1; SMN2
SCHEMBL2417389 0.89 SMN1; SMN2 (0.46) NPSR1EPHX1HPGDKMT2ASMN1; SMN2
SCHEMBL16922982 0.89 SMN1; SMN2 (0.46) NPSR1EPHX1HPGDKMT2ASMN1; SMN2
SCHEMBL3075216 0.86 EPHX1 (0.68) NPSR1EPHX1HPGDKMT2ASMN1; SMN2
SCHEMBL9381361 0.83 ALDH1A1 (0.55) NPSR1EPHX1HPGDKMT2ASMN1; SMN2
SCHEMBL20053080 0.82 KMT2A (0.54) NPSR1EPHX1HPGDKMT2ASMN1; SMN2
SCHEMBL14890449 0.81 EPHX2 (0.56) NPSR1EPHX1HPGDKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10570157-B2 Cyclic diarylboron derivatives as NLRP3 inflammasome inhibitors THE UNIVERSITY OF MANCHESTER (GB) 2020-02-25 US disclosed
US-10570157-B2 Cyclic diarylboron derivatives as NLRP3 inflammasome inhibitors THE UNIVERSITY OF MANCHESTER (GB) 2020-02-25 US disclosed
US-20180215772-A1 CYCLIC DIARYLBORON DERIVATIVES AS NLRP3 INFLAMMASOME INHIBITORS THE UNIVERSITY OF MANCHESTER (GB) 2018-08-02 US disclosed
US-20180215772-A1 CYCLIC DIARYLBORON DERIVATIVES AS NLRP3 INFLAMMASOME INHIBITORS THE UNIVERSITY OF MANCHESTER (GB) 2018-08-02 US disclosed
US-20180215772-A1 CYCLIC DIARYLBORON DERIVATIVES AS NLRP3 INFLAMMASOME INHIBITORS THE UNIVERSITY OF MANCHESTER (GB) 2018-08-02 US disclosed
US-9943498-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2018-04-17 US disclosed
US-9943498-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2018-04-17 US disclosed
US-9943498-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2018-04-17 US disclosed
EP-2549991-B1 FE(III) COMPLEX COMPOUNDS FOR TREATING AND PROPHYLAXIS FOR ANAEMIA SYMPTOMS AND ANAEMIA VIFOR (INTERNATIONAL) AG (CH) 2017-11-22 EP disclosed
EP-2549991-B1 FE(III) COMPLEX COMPOUNDS FOR TREATING AND PROPHYLAXIS FOR ANAEMIA SYMPTOMS AND ANAEMIA VIFOR (INTERNATIONAL) AG (CH) 2017-11-22 EP disclosed
US-4343942-A BACTERICIDES RESEARCH CORPORATION (US) 1982-08-10 US disclosed
US-4264494-A Chromium complex dyestuffs for natural polyamides and synthetic nylons BASF AKTIENGESELLSCHAFT (DE) 1981-04-28 US disclosed
US-4228071-A Triazine containing fiber-reactive disazo dyestuffs CIBA-GEIGY CORPORATION (US) 1980-10-14 US disclosed
US-4212801-A Unsymmetrical 1:2-chromium complexes containing an azo and an azomethine bond BASF AKTIENGESELLSCHAFT (DE) 1980-07-15 US disclosed
US-4190726-A Polycyclic dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1980-02-26 US disclosed
US-4170465-A PRE- AND POST- EMERGENCE HERBICIDES ROUSSEL UCLAF (FR) 1979-10-09 US disclosed
US-4052374-A UNSYMMETRICAL 1:2-CHROMIUM COMPLEXES CONTAINING AN AZO COMPOUND AND AN AZOMETHINE COMPOUND BASF AKTIENGESELLSCHAFT (DT) 1977-10-04 US disclosed
US-4013684-A PREPARATION OF 2,5-DIMETHYLFURAN-3-CARBOXYLIC AMIDES BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1977-03-22 US disclosed
US-4001232-A N-SUBSTITUTED PROPYLENE DIAMINE, ACETOACETIC ACID, ESTER, OR AMIDE BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed
US-3993637-A Chelatable triazolylazo-N-alkyl(cycloalkyl)acylacetamide dyes EASTMAN KODAK COMPANY (US) 1976-11-23 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 (2 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-10570157-B2 Cyclic diarylboron derivatives as NLRP3 inflammasome inhibitors NLRP3, IL1B, NOD1 NPSR1 3874/4885EPHX1 1164/4885HPGD 825/4885
US-20180215772-A1 CYCLIC DIARYLBORON DERIVATIVES AS NLRP3 INFLAMMASOME INHIBITORS NLRP3, IL1B, NOD1 NPSR1 3874/4885EPHX1 1164/4885HPGD 825/4885

“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.