SCHEMBL4750130

SCHEMBL4750130

Nc1ccc(NC(=O)CCN2CCCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
KMT2A Q03164 2/20 0.70
LMNA P02545 2/20 0.70
POLB P06746 1/20 0.70
MEN1 O00255 1/20 0.69
TERT O14746 10/20 0.66
MAPT P10636 2/20 0.66
ALOX15 P16050 1/20 0.66
GLA P06280 1/20 0.63
ATM Q13315 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
TSHR P16473 1/20 0.63
MAPK1 P28482 1/20 0.62

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
SCHEMBL4750052 0.98 ALDH1A1 (0.73) ALDH1A1KMT2ALMNAPOLBMEN1
SCHEMBL4749143 0.91 ALDH1A1 (0.58) ALDH1A1KMT2ALMNAPOLBMEN1
SCHEMBL5151404 0.88 TP53 (0.74) ALDH1A1LMNATERTMAPT
SCHEMBL4749808 0.87 ATM (0.75) LMNAPOLBTERTALOX15ATM
SCHEMBL23291376 0.85 ALDH1A1 (0.63) ALDH1A1KMT2ALMNAPOLBMEN1
SCHEMBL14924419 0.84 KMT2A (0.94) ALDH1A1KMT2ALMNAPOLBMEN1
SCHEMBL14355560 0.84 KMT2A (0.74) ALDH1A1KMT2ALMNAPOLBMEN1
SCHEMBL3585599 0.84 TP53 (0.78) ALDH1A1KMT2ALMNAPOLBMEN1
SCHEMBL1409462 0.84 KDM4E (0.71) ALDH1A1KMT2ALMNAPOLBMEN1
SCHEMBL14924020 0.84 KMT2A (0.68) ALDH1A1KMT2ALMNAPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011162515-A2 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHD3ITION OF TYROSINE KINASE ACTIVITY HANMI HOLDINGS CO. , LTD. (KR) 2011-12-29 WO disclosed
WO-2008122667-A2 UREYLENE DERIVATIVES SCHOOL OF PHARMACY (GB) 2008-10-16 WO disclosed
US-7300930-B2 Therapeutic acridone and acridine compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-27 US disclosed
US-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 US disclosed
US-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 US disclosed
US-7160896-B2 Therapeutic acridone and acridine compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-01-09 US disclosed
US-20060111389-A1 Therapeutic acridone and acridine compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-05-25 US disclosed
US-20030207909-A1 Therapeutic acridone and acridine compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-11-06 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 (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-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases PLK2, PLK4, PDXK ALDH1A1 3013/4885KMT2A 849/4885LMNA 841/4885
US-20030207909-A1 Therapeutic acridone and acridine compounds NAT1, TERT, CCNA1 ALDH1A1 75/4885KMT2A 1152/4885LMNA 102/4885
US-20060111389-A1 Therapeutic acridone and acridine compounds TERT, ACIN1, NAT1 ALDH1A1 63/4885KMT2A 1398/4885LMNA 367/4885

“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.