SCHEMBL2902840

SCHEMBL2902840

CCCCCC(=O)Sc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
NPC1 O15118 1/20 0.47
HSP90AA1 P07900 1/20 0.47
RAB9A P51151 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
FAAH O00519 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
SCHEMBL2912510 0.98 LMNA (0.49) LMNAHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL535804 0.95 ALDH1A1 (0.49) LMNAHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL4120039 0.90 ALDH1A1 (0.50) LMNAHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL15503157 0.85 ALDH1A1 (0.49) LMNASMN1; SMN2ALDH1A1KDM4EALOX15
SCHEMBL1607377 0.83 LMNA (0.51) LMNASMN1; SMN2ALDH1A1KDM4EALOX15
SCHEMBL277446 0.80 LMNA (0.50) LMNASMN1; SMN2ALDH1A1KDM4EALOX15
SCHEMBL12109353 0.79 ALDH1A1 (0.46) LMNAHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL5880878 0.79 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1ALOX15NPC1RAB9A
SCHEMBL9983120 0.79 DAGLA (0.46) LMNAALDH1A1MAPTKMT2AFAAH
SCHEMBL3441413 0.77 ALDH1A1 (0.52) LMNAHTTSMN1; SMN2ALDH1A1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258321-B2 Beta-lactone compounds BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2012-09-04 US disclosed
EP-2212305-A1 BETA-LACTONE COMPOUNDS Burnham Institute for Medical Research (US) 2010-08-04 EP disclosed
US-20090124681-A1 BETA-LACTONE COMPOUNDS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-05-14 US disclosed
WO-2009059046-A1 BETA-LACTONE COMPOUNDS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-05-07 WO disclosed
US-6849730-B2 Methods of making porphyrins and related compounds with Lewis acids NORTH CAROLINA STATE UNIVERSITY (US) 2005-02-01 US disclosed
US-20030096978-A1 Methods of making porphyrins and related compounds with Lewis acids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-22 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-20090124681-A1 BETA-LACTONE COMPOUNDS LBR, CYP8B1, GLB1 LMNA 469/4885HTT 1420/4885SMN1; SMN2 3959/4885
US-20030096978-A1 Methods of making porphyrins and related compounds with Lewis acids DDT, LIG3, SHARPIN LMNA 1420/4885HTT 786/4885SMN1; SMN2 4827/4885

“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.