SCHEMBL7076492

SCHEMBL7076492

CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccccc2N)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.59
FADS1 O60427 3/20 0.51
P2RX1 P51575 1/20 0.51
NAMPT P43490 1/20 0.51
RXFP1 Q9HBX9 1/20 0.50
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CFTR P13569 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
MAP4K4 O95819 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL7075336 0.84 HPGD (0.64) NAMPTRXFP1KDM4EALDH1A1HPGD
SCHEMBL6816151 0.84 ALDH1A1 (0.63) NAMPTRXFP1ALDH1A1HPGDMEN1
SCHEMBL7081264 0.83 MEN1 (0.69) RXFP1KDM4EALDH1A1HPGDNPC1
SCHEMBL7076004 0.83 NPC1 (0.63) NAMPTRXFP1KDM4EALDH1A1HPGD
SCHEMBL7719121 0.83 SMO (0.60) NAMPTRXFP1ALDH1A1HPGDNPC1
SCHEMBL17744848 0.83 PTGS1 (0.75) PTGS1FADS1P2RX1KDM4EHSD17B10
SCHEMBL7075669 0.82 MAPT (0.63) RXFP1KDM4EALDH1A1NPC1RAB9A
SCHEMBL3822225 0.81 PTGS1 (0.73) PTGS1FADS1P2RX1NPC1RAB9A
SCHEMBL7081238 0.81 RXFP1 (0.57) PTGS1NAMPTRXFP1KDM4ENPC1
SCHEMBL6815971 0.81 NPC1 (0.66) NAMPTRXFP1NPC1RAB9AHDAC1

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 PTGS1 4336/4885FADS1 4455/4885P2RX1 1056/4885
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR PTGS1 3433/4885FADS1 4390/4885P2RX1 1658/4885
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 PTGS1 3088/4885FADS1 4786/4885P2RX1 378/4885

“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.