SCHEMBL7079567

SCHEMBL7079567

CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2F)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.58
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
MAPT P10636 1/20 0.53
AVPR2 P30518 1/20 0.51
GPR27 Q9NS67 1/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 2/20 0.49
HDAC1 Q13547 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NAMPT P43490 1/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL7081255 0.89 LMNA (0.49) SNCANPC1RAB9AKDM4ETDP1
SCHEMBL7081264 0.83 MEN1 (0.69) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL632848 0.82 MEN1 (0.54) NPC1RAB9AMAPTALDH1A1MAPK1
SCHEMBL7081259 0.82 NAMPT (0.47) NPC1RAB9AALDH1A1KDM4ETDP1
SCHEMBL7080560 0.80 NAMPT (0.64) SNCANPC1RAB9AKDM4ETDP1
SCHEMBL15753831 0.79 RARA (0.46) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL23898930 0.79 NAMPT (0.54) NPC1RAB9AALDH1A1LMNAHDAC1
SCHEMBL7076019 0.78 NPC1 (0.60) NPC1RAB9AMAPTKDM4EL3MBTL1
SCHEMBL7074117 0.78 RAB9A (0.53) NPC1RAB9AMAPTKDM4ETDP1
SCHEMBL14410670 0.78 RXFP1 (0.57) NPC1RAB9AMAPTGPR27KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2003-02-20 US disclosed
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2002-02-28 US disclosed
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group AMERICAN HOME PRODUCTS CORPORATION (US) 2001-11-08 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 (3 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-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses HAVCR2, CCR6, CXCR6 SNCA 2990/4885NPC1 1705/4885RAB9A 3069/4885
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR SNCA 3510/4885NPC1 797/4885RAB9A 3048/4885
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 SNCA 3307/4885NPC1 1212/4885RAB9A 732/4885

“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.