SCHEMBL6816657

SCHEMBL6816657

C[C@H](NC(=S)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 2/20 0.54
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 3/20 0.50
PTPN1 P18031 1/20 0.49
RAB9A P51151 2/20 0.48
ATM Q13315 1/20 0.48
MITF O75030 1/20 0.48
HDAC8 Q9BY41 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
EPHX1 P07099 1/20 0.46

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
SCHEMBL27466672 1.00 KMT2A (0.57) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL6811595 0.94 KMT2A (0.63) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL6815817 0.94 KMT2A (0.63) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL6815403 0.89 KMT2A (0.58) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL6816536 0.88 KMT2A (0.57) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL6815132 0.88 NPC1 (0.62) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL6812288 0.87 KMT2A (0.56) KMT2AMEN1LMNAALDH1A1NPC1
SCHEMBL6819146 0.86 KMT2A (0.70) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL6819436 0.86 KMT2A (0.64) KMT2AMEN1LMNASMN1; SMN2MAPK1
SCHEMBL6816362 0.86 KMT2A (0.57) KMT2AMEN1LMNASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1165531-C Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups 2004-09-08 CN claimed
EP-1137645-B1 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP WYETH CORP (US) 2004-05-26 EP claimed
CN-1329608-A Alpha-methylbenzyl-containing thioure a inhibitors of herpes viruses containing phenylenediamine group AMERICAN HOME PROD (US) 2002-01-02 CN 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
EP-1137645-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP claimed
US-6255349-B1 PREVENTION REPRODUCTION; VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2001-07-03 US claimed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO claimed
CN-1165531-C Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups 2004-09-08 CN disclosed
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
CN-1329608-A Alpha-methylbenzyl-containing thioure a inhibitors of herpes viruses containing phenylenediamine group AMERICAN HOME PROD (US) 2002-01-02 CN 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 KMT2A 2484/4885MEN1 4755/4885LMNA 4433/4885

“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.