SCHEMBL1908280

SCHEMBL1908280

Cn1c(I)cnc1-c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 8/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
HSD17B10 Q99714 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 1/20 0.47
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
FLT3 P36888 1/20 0.41
ERCC1 P07992 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 1/20 0.40
TSHR P16473 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 5/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
USP2 O75604 2/20 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
SCHEMBL2040756 0.77 KDM4E (0.45) KDM4EALDH1A1NPC1RAB9AHSD17B10
SCHEMBL27490294 0.77 ALDH1A1 (0.45) KDM4EALDH1A1NPC1RAB9AHSD17B10
SCHEMBL27490293 0.76 KDM4E (0.48) KDM4EALDH1A1NPC1RAB9AHSD17B10
SCHEMBL7571429 0.70 PDE10A (0.41) KDM4EALDH1A1NPC1RAB9AHSD17B10
SCHEMBL12596380 0.69 KDM4E (0.65) KDM4EALDH1A1NPC1RAB9AHSD17B10
SCHEMBL1907032 0.68 KDM4E (0.46) KDM4EALDH1A1NPC1RAB9AHSD17B10
SCHEMBL9825980 0.68 KDM4E (0.46) KDM4EALDH1A1NPC1RAB9AHSD17B10
SCHEMBL9118620 0.67 ALDH1A1 (0.49) KDM4EALDH1A1NPC1RAB9AHSD17B10
SCHEMBL1234818 0.67 KDM4E (0.61) KDM4EALDH1A1NPC1RAB9AHSD17B10
SCHEMBL1906111 0.67 KDM4E (0.45) KDM4EALDH1A1NPC1RAB9AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
EP-2320907-A1 THERAPEUTIC COMPOUNDS Merck & Co., Inc. (US) 2011-05-18 EP disclosed
WO-2010017047-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2010-02-11 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-20110207711-A1 Therapeutic Compounds WEE2, MARK3, WEE1 KDM4E 1778/4885ALDH1A1 4287/4885NPC1 1378/4885

“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.