SCHEMBL12570010

SCHEMBL12570010

CNC(=N)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.41
PKM P14618 1/20 0.39
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA9 Q16790 3/20 0.39
CA2 P00918 2/20 0.39
ALDH1A1 P00352 2/20 0.38
FAAH O00519 1/20 0.38
PHGDH O43175 1/20 0.38
ALDH2 P05091 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
MGLL Q99685 1/20 0.38
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL14595642 0.92 PDK1 (0.46) LMNASMN1; SMN2HTTPKMCA12
SCHEMBL10591937 0.82 LMNA (0.41) LMNASMN1; SMN2HTTPKMCA12
SCHEMBL16791197 0.80 LMNA (0.46) LMNASMN1; SMN2HTTPKMCA12
Hydrochloric Acid SCHEMBL15537607 0.78 LMNA (0.45) LMNASMN1; SMN2HTTPKMCA12
SCHEMBL2392837 0.78 LMNA (0.45) LMNASMN1; SMN2HTTPKMCA12
SCHEMBL9424165 0.77
SCHEMBL14595297 0.77
SCHEMBL2147986 0.76 LMNA (0.48) LMNASMN1; SMN2HTTPKMCA12
SCHEMBL13497366 0.76 SMN1; SMN2 (0.58) LMNASMN1; SMN2HTTPKMCA12
SCHEMBL9988829 0.75 F2 (0.46) LMNASMN1; SMN2HTTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023212240-A1 COMPOUNDS FOR INHIBITING KIF18A VOLASTRA THERAPEUTICS, INC. (US) 2023-11-02 WO disclosed
WO-2023107623-A2 BICYCLIC HETEROARENES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
US-7960562-B2 Propane-1,3-dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-06-14 US disclosed
US-7960562-B2 Propane-1,3-dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-06-14 US disclosed
US-20100311690-A1 BOROPEPTIDE INHIBITORS OF ENTEROPEPTIDASE AND THEIR USES IN TREATMENT OF OBESITY, OVERWEIGHT AND/OR DISEASES ASSOCIATED WITH AN ABNORMAL FAT METABOLISM OBE THERAPY BIOTECHNOLOGY (FR) 2010-12-09 US disclosed
US-20090181964-A1 Propane-1,3-Dione Derivative or Salt Thereof ASTELLAS PHARMA INC. 2009-07-16 US disclosed
US-20090181964-A1 Propane-1,3-Dione Derivative or Salt Thereof ASTELLAS PHARMA INC. 2009-07-16 US disclosed
US-7317101-B2 Antibacterial cephalosporins SANDOZ GMBH (AT) 2008-01-08 US disclosed
US-7317101-B2 Antibacterial cephalosporins SANDOZ GMBH (AT) 2008-01-08 US disclosed
EP-1864976-A1 PROPANE-1,3-DION DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-12-12 EP disclosed
EP-1682532-B1 PYRIMIDINES AS INHIBITORS OF PHOSPHOINOSITIDE-3-KINASES (PI3K) WARNER LAMBERT CO (US) 2007-06-27 EP disclosed
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases FINK CYNTHIA A 2007-03-15 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-20090181964-A1 Propane-1,3-Dione Derivative or Salt Thereof GNRHR, KISS1R, FSHR LMNA 4676/4885SMN1; SMN2 1249/4885HTT 1214/4885
US-20100311690-A1 BOROPEPTIDE INHIBITORS OF ENTEROPEPTIDASE AND THEIR USES IN TREATMENT OF OBESITY, OVERWEIGHT AND/OR DISEASES ASSOCIATED WITH AN ABNORMAL FAT METABOLISM TMPRSS15, PCSK9, ANPEP LMNA 1491/4885SMN1; SMN2 4590/4885HTT 2077/4885
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 LMNA 2070/4885SMN1; SMN2 991/4885HTT 245/4885
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases BRAF, RAF1, NRAS LMNA 3365/4885SMN1; SMN2 4098/4885HTT 3396/4885

“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.