SCHEMBL5569294

SCHEMBL5569294

CC1(C)CC(=O)NN=C1c1cccc(NC(=O)Nc2ccc(F)cc2F)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.53
GAA P10253 1/20 0.53
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
HTT P42858 3/20 0.49
MAPT P10636 4/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CNR1 P21554 1/20 0.42
LMNA P02545 2/20 0.42
KDR P35968 1/20 0.42
GRM5 P41594 1/20 0.41
PKM P14618 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IGF1R P08069 1/20 0.41

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
SCHEMBL6405194 0.83 MEN1 (0.47) SMN1; SMN2NPC1RAB9AHTTMAPT
SCHEMBL6405008 0.83 MAOB (0.45) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL6401844 0.83 GRM5 (0.52) GAANPC1RAB9AMAPTMEN1
SCHEMBL6404580 0.79 SMN1; SMN2 (0.53) SMN1; SMN2GAANPC1RAB9AHTT
SCHEMBL5572272 0.76 FGFR1 (0.39) SMN1; SMN2NPC1RAB9AHTTMAPT
Hydrochloric Acid SCHEMBL1143156 0.71 ACHE (0.72) SMN1; SMN2GAANPC1RAB9AHTT
SCHEMBL6405326 0.69 PKM (0.48) SMN1; SMN2GAANPC1RAB9AHTT
SCHEMBL17609477 0.68 RAB9A (1.00) SMN1; SMN2GAANPC1RAB9AHTT
SCHEMBL6406401 0.68 KDR (0.51) NPC1HTTMAPTALDH1A1MEN1
SCHEMBL13568454 0.68 SMN1; SMN2 (0.54) SMN1; SMN2GAANPC1RAB9AHTT

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-1583967-B1 METHOD FOR INHIBITING THE REPLICATION OF HERPES VIRUSES AICURIS GMBH & CO KG (DE) 2007-06-27 EP disclosed
US-20070004735-A1 Method for inhibiting the replication of herpes viruses AICURIS GMBH & CO. KG (DE) 2007-01-04 US disclosed
US-20070004735-A1 Method for inhibiting the replication of herpes viruses AICURIS GMBH & CO. KG (DE) 2007-01-04 US disclosed
US-20070004735-A1 Method for inhibiting the replication of herpes viruses AICURIS GMBH & CO. KG (DE) 2007-01-04 US disclosed
US-20050059658-A1 Pyridazinone BAYER AKTIENGESELLSCHAFT (DE) 2005-03-17 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 (2 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-20050059658-A1 Pyridazinone TYMP, TPMT, PDXK SMN1; SMN2 4713/4885GAA 1598/4885NPC1 3414/4885
US-20070004735-A1 Method for inhibiting the replication of herpes viruses RPL35, PCNA, MCM5 SMN1; SMN2 4812/4885GAA 498/4885NPC1 1160/4885

“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.