SCHEMBL7074196

SCHEMBL7074196

CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cccc(OCCCl)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NR1H4 Q96RI1 4/20 0.51
LMNA P02545 4/20 0.51
TP53 P04637 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 2/20 0.51
THRB P10828 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ADRB2 P07550 2/20 0.51
HTT P42858 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
POLB P06746 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 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
SCHEMBL7076022 0.89 THRB (0.67) MAPTSMN1; SMN2NR1H4LMNATP53
SCHEMBL7721959 0.87 KDR (0.53) MAPTSMN1; SMN2NR1H4LMNATP53
SCHEMBL7081074 0.84 LMNA (0.51) MAPTSMN1; SMN2LMNATP53ALDH1A1
SCHEMBL7076430 0.83 KMT2A (0.65) MAPTSMN1; SMN2NR1H4LMNAALDH1A1
SCHEMBL7078444 0.83 TP53 (0.70) MAPTSMN1; SMN2LMNATP53ALDH1A1
SCHEMBL29730607 0.83 CYP17A1 (0.48) LMNATP53ALDH1A1
SCHEMBL23898931 0.83 NAMPT (0.61) SMN1; SMN2TP53ALDH1A1MAPK1THRB
SCHEMBL7073723 0.82 PTPN1 (0.55) SMN1; SMN2TP53ALDH1A1MAPK1MEN1
SCHEMBL6814510 0.81 KDR (0.62) MAPTSMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL7074245 0.79 RAB9A (0.60) MAPTSMN1; SMN2MEN1KMT2AHTT

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 4 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
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 (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 MAPT 3898/4885SMN1; SMN2 4566/4885NR1H4 664/4885
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR MAPT 3272/4885SMN1; SMN2 4485/4885NR1H4 318/4885
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 MAPT 4129/4885SMN1; SMN2 4422/4885NR1H4 2317/4885

“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.