SCHEMBL7076004

SCHEMBL7076004

CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccccc2Br)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.63
RAB9A P51151 6/20 0.63
KMT2A Q03164 7/20 0.60
MEN1 O00255 3/20 0.60
SMN1; SMN2 Q16637 5/20 0.59
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.58
HTT P42858 1/20 0.56
F2R P25116 3/20 0.55
LMNA P02545 2/20 0.53
HPGD P15428 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TSHR P16473 1/20 0.52
NAMPT P43490 1/20 0.51
MAPT P10636 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
USP2 O75604 1/20 0.50
F10 P00742 1/20 0.49
STAT1 P42224 1/20 0.49

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) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL6816151 0.84 ALDH1A1 (0.63) KMT2AMEN1ALDH1A1LMNAHPGD
SCHEMBL7076492 0.83 PTGS1 (0.59) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL7719121 0.83 SMO (0.60) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL7081264 0.83 MEN1 (0.69) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL7075669 0.82 MAPT (0.63) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL6815971 0.81 NPC1 (0.66) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL6811761 0.81 CHRNB2 (0.66) ALDH1A1KDM4EHTTLMNAL3MBTL1
SCHEMBL7081238 0.81 RXFP1 (0.57) NPC1RAB9ASMN1; SMN2KDM4EF2R
SCHEMBL7080578 0.81 KMT2A (0.65) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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 NPC1 1705/4885RAB9A 3069/4885KMT2A 2957/4885
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR NPC1 797/4885RAB9A 3048/4885KMT2A 2484/4885
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 NPC1 1212/4885RAB9A 732/4885KMT2A 1121/4885

“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.