SCHEMBL4628740

SCHEMBL4628740

CN(C)CCCNC(=N)NC(=O)c1cccs1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.46
HDAC3 O15379 1/20 0.45
TSHR P16473 2/20 0.45
RAB9A P51151 2/20 0.44
KIF11 P52732 1/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL12181413 0.86 KDM4E (0.73) KDM4EGAASMN1; SMN2NPC1CYP1A2
SCHEMBL4628443 0.79 NPC1 (0.70) KDM4EGAASMN1; SMN2NPC1CYP1A2
SCHEMBL2382072 0.78 KDM4E (0.68) KDM4EGAASMN1; SMN2NPC1CYP1A2
SCHEMBL4628469 0.76 NPC1 (0.74) KDM4ESMN1; SMN2NPC1CYP1A2CYP2C9
SCHEMBL4629038 0.75 HPGD (0.53) KDM4ESMN1; SMN2NPC1KMT2ARAB9A
SCHEMBL4628745 0.73 SCN5A (0.65) KDM4EGAANPC1KMT2AHDAC3
SCHEMBL4629223 0.73 HTT (0.50) KDM4EKMT2AHDAC8ALOX15
SCHEMBL4629277 0.73 NPC1 (0.57) KDM4ESMN1; SMN2NPC1CYP1A2CYP2C9
SCHEMBL4628427 0.72 KMT2A (0.63) KDM4ESMN1; SMN2NPC1CYP1A2CYP2C9
SCHEMBL4628547 0.72 NPC1 (0.56) GAASMN1; SMN2NPC1KMT2ARAB9A

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-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US claimed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA KDM4E 3300/4885GAA 3/4885SMN1; SMN2 53/4885

“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.