SCHEMBL7078740

SCHEMBL7078740

O=C(Oc1ccccc1)c1ccc(NC(=O)c2ccccc2F)cc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.73
MAPK1 P28482 3/20 0.73
KDM4E B2RXH2 2/20 0.73
RAB9A P51151 8/20 0.64
NPC1 O15118 7/20 0.64
SMN1; SMN2 Q16637 7/20 0.64
HPGD P15428 5/20 0.64
HSD17B10 Q99714 3/20 0.64
ALDH1A1 P00352 2/20 0.64
GAA P10253 1/20 0.64
ALOX15 P16050 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
MEN1 O00255 3/20 0.56

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
SCHEMBL6815242 0.86 ALDH1A1 (0.65) MAPTMAPK1KDM4ERAB9ANPC1
SCHEMBL27533432 0.80 MAPT (0.73) MAPTMAPK1KDM4ERAB9ANPC1
Acetic Acid SCHEMBL27603205 0.79 MAPT (0.71) MAPTMAPK1KDM4ERAB9ANPC1
SCHEMBL7199427 0.78 MAPT (0.70) MAPTMAPK1KDM4ERAB9ANPC1
SCHEMBL9167496 0.77 MAPT (0.68) MAPTMAPK1KDM4ERAB9ANPC1
SCHEMBL2345917 0.77 MAPT (0.68) MAPTMAPK1KDM4ERAB9ANPC1
SCHEMBL3502180 0.76 MAPT (0.67) MAPTMAPK1KDM4ERAB9ANPC1
SCHEMBL2351470 0.76 MAPT (0.67) MAPTMAPK1KDM4ERAB9ANPC1
SCHEMBL2831844 0.76 KMT2A (0.68) MAPTKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL11690939 0.75 NPC1 (0.69) MAPTMAPK1KDM4ERAB9ANPC1

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-6380243-B1 INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES- 6 AND -7, AND KAPOSI HERPESVIRUS. AMERICAN HOME PRODUCTS CORPORATION 2002-04-30 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 MAPT 3898/4885MAPK1 2327/4885KDM4E 2975/4885
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR MAPT 3272/4885MAPK1 2678/4885KDM4E 1441/4885
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 MAPT 4129/4885MAPK1 1272/4885KDM4E 225/4885

“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.