SCHEMBL2450845

SCHEMBL2450845

CCNC(=O)Cc1ccc(OC)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.71
NPC1 O15118 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.62
LMNA P02545 1/20 0.62
ERCC1 P07992 1/20 0.61
ERCC4 Q92889 1/20 0.61
ALDH1A1 P00352 4/20 0.58
CA12 O43570 2/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA9 Q16790 2/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
CYP2D6 P10635 1/20 0.57
TDP1 Q9NUW8 1/20 0.56
EPHX2 P34913 1/20 0.56
MAPT P10636 2/20 0.55
RAB9A P51151 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL11278088 0.85 PTGS1 (0.65) HTTNPC1SMN1; SMN2LMNAERCC1
Anisole SCHEMBL27932714 0.85 NPC1 (0.62) HTTNPC1SMN1; SMN2LMNAERCC1
SCHEMBL26099203 0.85 SMN1; SMN2 (0.70) HTTNPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL14817500 0.84 RAB9A (0.61) HTTNPC1SMN1; SMN2LMNAERCC1
SCHEMBL8951696 0.84 HTT (0.69) HTTNPC1SMN1; SMN2LMNAERCC1
SCHEMBL10963044 0.84 HTT (0.69) HTTNPC1SMN1; SMN2LMNAERCC1
SCHEMBL24064509 0.83 ALDH1A1 (0.68) HTTNPC1SMN1; SMN2LMNAERCC1
SCHEMBL20325057 0.83 POLB (0.74) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL13933261 0.82 HTT (0.51) HTTNPC1SMN1; SMN2LMNAERCC1
SCHEMBL3369060 0.81 HTT (0.76) HTTNPC1SMN1; SMN2LMNAERCC1

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-8013153-B2 Substituted pyrimidine kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2011-09-06 US disclosed
US-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-01 US disclosed
WO-2007109783-A2 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 WO disclosed
US-5110914-A Ion exchanging UNIVERSITY OF MIAMI (US) 1992-05-05 US disclosed
US-5086167-A Ion exchanging with a ligand/matrix using a combination of pi-electron and electrostatic interaction of the ligand and ionic amino acids UNIVERSITY OF MIAMI (US) 1992-02-04 US disclosed
EP-0371746-A2 Method of separating proteins UNIVERSITY OF MIAMI (US) 1990-06-06 EP 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-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS DTYMK, TK1, DCK HTT 4395/4885NPC1 1789/4885SMN1; SMN2 2628/4885

“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.