SCHEMBL9963489

SCHEMBL9963489

Cc1c(NC(N)=S)cccc1NC(=S)NCC(=O)N1CCN(C2CCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
RORC P51449 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9963477 0.87 GAA (0.42) KDM4EALDH1A1KMT2A
SCHEMBL9963676 0.69 PPID (0.46) MAPK1KMT2ASMN1; SMN2
SCHEMBL9963608 0.65 L3MBTL1 (0.49) KDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL8912251 0.64 HTT (0.64) KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL4377372 0.63 MEN1 (0.60) KDM4EALDH1A1CYP2D6CYP2C19KMT2A
SCHEMBL4381677 0.62 MEN1 (0.59) KDM4EALDH1A1CYP2D6CYP2C19KMT2A
SCHEMBL12949884 0.62 POLB (0.50) KDM4ELMNAKMT2ASMN1; SMN2
SCHEMBL3775910 0.62 MAPT (0.60) MAPK1KDM4EALDH1A1LMNAKMT2A
SCHEMBL4844807 0.61 KDM4E (0.52) MAPK1KDM4EALDH1A1CYP2C19KMT2A
SCHEMBL3771221 0.61 ALDH1A1 (0.52) KDM4EALDH1A1KMT2A

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 5 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

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 MAPK1 86/4885KDM4E 3178/4885ALDH1A1 51/4885

“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.