SCHEMBL7079581

SCHEMBL7079581

C[S+]([O-])c1ccccc1C(=O)Nc1ccc(NC(=O)C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
PTGS1 P23219 1/20 0.44
MAPT P10636 1/20 0.43
LMNA P02545 2/20 0.42
DPP4 P27487 1/20 0.42
NPC1 O15118 3/20 0.42
TP53 P04637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL6812199 0.90 RXFP1 (0.46) ACHEMEN1KMT2ATDP1CA12
SCHEMBL8054041 0.84 HPGD (0.57) MEN1KMT2ATDP1RAB9AALDH1A1
SCHEMBL8054126 0.83 RAB9A (0.60) MEN1KMT2ATDP1RAB9AALDH1A1
SCHEMBL6816336 0.82 KMT2A (0.47) MEN1KMT2ATDP1CA12CA1
SCHEMBL6919153 0.79 NAMPT (0.47) MEN1KMT2ATDP1RAB9ASMN1; SMN2
SCHEMBL6815216 0.75 SMN1; SMN2 (0.64) MEN1KMT2ATDP1RAB9AALDH1A1
SCHEMBL27485010 0.73 KMT2A (0.41) MEN1KMT2ATDP1CA1CA2
SCHEMBL7217674 0.71 HPGD (0.53) MEN1KMT2ATDP1RAB9AALDH1A1
SCHEMBL25217438 0.71 CTSD (0.50) MEN1KMT2ATDP1CA1CA2
SCHEMBL474941 0.70 HDAC1 (0.65) MEN1KMT2ACA12CA1CA2

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-6410571-B1 VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2002-06-25 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 ACHE 4259/4885MEN1 4810/4885KMT2A 2957/4885
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR ACHE 4085/4885MEN1 4755/4885KMT2A 2484/4885
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 ACHE 3258/4885MEN1 4601/4885KMT2A 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.