SCHEMBL9963477

SCHEMBL9963477

Cc1c(NC(N)=S)cccc1NC(=S)NCC(=O)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
POLB P06746 2/20 0.42
CRHBP P24387 1/20 0.41
NPBWR1 P48145 1/20 0.41
CRHR2 Q13324 1/20 0.41
MCHR1 Q99705 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PPID Q08752 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.40
PRMT3 O60678 1/20 0.40

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
SCHEMBL9963489 0.87 MAPK1 (0.46) KDM4EALDH1A1KMT2A
SCHEMBL9963676 0.80 PPID (0.46) GAAKMT2APPIDRAB9AMAPT
SCHEMBL9963608 0.73 L3MBTL1 (0.49) POLBKDM4EALDH1A1KMT2ATSHR
SCHEMBL12949884 0.72 POLB (0.50) GAAPOLBKDM4EKMT2AHPGD
SCHEMBL7999196 0.71 PPID (0.46) ALDH1A1HPGDTSHRPPIDRAB9A
SCHEMBL8912251 0.69 HTT (0.64) POLBKDM4EALDH1A1HPGDMAPT
SCHEMBL12031886 0.68 RAB9A (0.49) POLBKDM4EKMT2ATSHRPPID
SCHEMBL8286819 0.67 RAB9A (0.55) POLBALDH1A1KMT2AHPGDTSHR
SCHEMBL12949811 0.66 RAB9A (0.50) GAAPOLBKMT2ATSHRRAB9A
SCHEMBL8721047 0.66 L3MBTL1 (0.60) POLBKDM4EALDH1A1HPGDRAB9A

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
EP-2032583-B1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
WO-2007144370-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 WO 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 (1 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-20090258857-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 GAA 506/4885POLB 2129/4885CRHBP 4570/4885

“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.