SCHEMBL6814554

SCHEMBL6814554

COc1ccccc1C(=O)Nc1ccc(NC(=S)N[C@@H](C)c2ccc(Br)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
HPGD P15428 1/20 0.56
RAB9A P51151 4/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 9/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 3/20 0.52
KCNK3 O14649 2/20 0.52
KCNK9 Q9NPC2 2/20 0.52
NPC1 O15118 2/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
GFER P55789 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL6811806 1.00 ALDH1A1 (0.56) ALDH1A1HPGDRAB9AGAAMAPT
SCHEMBL6812750 1.00 ALDH1A1 (0.56) ALDH1A1HPGDRAB9AGAAMAPT
SCHEMBL6815550 0.90 ALDH1A1 (0.57) ALDH1A1HPGDRAB9AGAAMAPT
SCHEMBL6811835 0.86 ALDH1A1 (0.53) ALDH1A1HPGDRAB9AGAAMAPT
SCHEMBL6815853 0.84 MEN1 (0.55) ALDH1A1RAB9AGAAMAPTSMN1; SMN2
SCHEMBL6815663 0.84 MEN1 (0.55) ALDH1A1RAB9AGAAMAPTSMN1; SMN2
SCHEMBL6814629 0.84 MEN1 (0.55) ALDH1A1RAB9AGAAMAPTSMN1; SMN2
SCHEMBL18641840 0.84 ALDH1A1 (0.79) ALDH1A1HPGDRAB9AGAAMAPT
SCHEMBL4432153 0.83 MAPT (0.69) ALDH1A1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL6815239 0.83 MAPT (0.53) ALDH1A1HPGDRAB9AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137645-B1 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP WYETH CORP (US) 2004-05-26 EP claimed
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group AMERICAN HOME PRODUCTS CORPORATION (US) 2001-11-08 US claimed
US-6255349-B1 PREVENTION REPRODUCTION; VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2001-07-03 US claimed
EP-1137645-B1 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP WYETH CORP (US) 2004-05-26 EP disclosed
US-6462055-B2 VIRICIDES WYETH 2002-10-08 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
US-6255349-B1 PREVENTION REPRODUCTION; VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2001-07-03 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-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR ALDH1A1 3620/4885HPGD 4521/4885RAB9A 3048/4885

“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.