SCHEMBL7078679

SCHEMBL7078679

Nc1ccc(NC(=O)c2ccccc2F)cc1Cl.O=C(O)c1ccco1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.55
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
TDP1 Q9NUW8 2/20 0.54
RAB9A P51151 9/20 0.53
NPC1 O15118 7/20 0.53
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
MAPT P10636 4/20 0.52
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.50
CASP1 P29466 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALOX15 P16050 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
SCHEMBL7567776 0.92 MEN1 (0.50) FADS1MEN1KMT2ATDP1RAB9A
SCHEMBL7567771 0.90 MEN1 (0.48) FADS1MEN1KMT2ATDP1RAB9A
SCHEMBL6819360 0.86 FADS1 (0.71) FADS1MEN1KMT2ATDP1RAB9A
SCHEMBL7785382 0.81 KMT2A (0.63) MEN1KMT2ATDP1RAB9ANPC1
SCHEMBL6815673 0.80 FADS1 (0.62) FADS1MEN1KMT2ATDP1RAB9A
SCHEMBL7783875 0.76 MAPT (0.56) MEN1KMT2ATDP1RAB9ANPC1
SCHEMBL1160822 0.75 MEN1 (0.70) FADS1MEN1KMT2ATDP1RAB9A
SCHEMBL4251978 0.75 NPC1 (0.71) FADS1MEN1KMT2ATDP1RAB9A
SCHEMBL7682760 0.75 FADS1 (0.55) FADS1MEN1KMT2ATDP1RAB9A
SCHEMBL7569816 0.74 RAB9A (0.53) MEN1KMT2ATDP1RAB9ANPC1

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
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
EP-1144397-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO 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-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses HAVCR2, CCR6, CXCR6 FADS1 4455/4885MEN1 4810/4885KMT2A 2957/4885

“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.