SCHEMBL6716612

SCHEMBL6716612

O=C(Nc1ccccc1C(=O)C(F)(F)F)c1cc2ccccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 5/20 0.62
CCKBR P32239 4/20 0.57
NPC1 O15118 1/20 0.57
LMNA P02545 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NHERF1 O14745 1/20 0.55

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
SCHEMBL13701154 0.84 NHERF1 (0.74) CCKARCCKBRNPC1LMNARAB9A
SCHEMBL8368918 0.83 NPC1 (0.53) CCKARCCKBRNPC1LMNARAB9A
SCHEMBL21446808 0.83 CCKAR (0.66) CCKARCCKBRNPC1LMNARAB9A
SCHEMBL19476097 0.80 NPC1 (0.64) CCKARCCKBRNPC1LMNARAB9A
SCHEMBL5377871 0.79 FLT3 (0.65) NPC1LMNARAB9ASMN1; SMN2
SCHEMBL10562380 0.78 NPC1 (0.66) CCKARCCKBRNPC1LMNARAB9A
SCHEMBL19476162 0.77 NPC1 (0.64) CCKARNPC1LMNARAB9ASMN1; SMN2
SCHEMBL3995884 0.77 CCKAR (0.58) CCKARCCKBRNPC1LMNARAB9A
SCHEMBL19476083 0.76 NPC1 (0.59) CCKARNPC1LMNARAB9ASMN1; SMN2
SCHEMBL6258036 0.75 NPC1 (0.61) CCKARCCKBRNPC1LMNARAB9A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087491-A1 Electrophilic ketones for the treatment of herpesvirus infections FLYNN DANIEL L (US) 2004-05-06 US claimed
US-20030119721-A1 Electrophilic ketones for the treatment of herpesvirus infections G. D. SEARLE & CO., CORPORATE PATENT DEPARTMENT 2003-06-26 US claimed
EP-0888322-B1 ELECTROPHILIC KETONES FOR THE TREATMENT OF HERPESVIRUS INFECTIONS SEARLE & CO (US) 2002-09-18 EP claimed
EP-0888322-A2 ELECTROPHILIC KETONES FOR THE TREATMENT OF HERPESVIRUS INFECTIONS G.D. SEARLE & CO. (US) 1999-01-07 EP claimed
WO-1997034566-A2 ELECTROPHILIC KETONES FOR THE TREATMENT OF HERPESVIRUS INFECTIONS G.D. SEARLE & CO. (US) 1997-09-25 WO claimed
US-20040087491-A1 Electrophilic ketones for the treatment of herpesvirus infections FLYNN DANIEL L (US) 2004-05-06 US disclosed
US-6673788-B2 CONTAINING 2,2,2-TRIFLUORO-1-OXOETHYL GROUPS G. D. SEARLE & CO. 2004-01-06 US disclosed
US-6673784-B1 HALOSUBSTITUTED ACETOPHENONES AS SELECTIVE HERPESVIRUS PROTEASE INHIBITORS G. D. SEARLE & CO. 2004-01-06 US disclosed
US-20030119721-A1 Electrophilic ketones for the treatment of herpesvirus infections G. D. SEARLE & CO., CORPORATE PATENT DEPARTMENT 2003-06-26 US disclosed
EP-0888322-B1 ELECTROPHILIC KETONES FOR THE TREATMENT OF HERPESVIRUS INFECTIONS SEARLE & CO (US) 2002-09-18 EP disclosed
EP-0888322-A2 ELECTROPHILIC KETONES FOR THE TREATMENT OF HERPESVIRUS INFECTIONS G.D. SEARLE & CO. (US) 1999-01-07 EP disclosed
WO-1997034566-A2 ELECTROPHILIC KETONES FOR THE TREATMENT OF HERPESVIRUS INFECTIONS G.D. SEARLE & CO. (US) 1997-09-25 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 (2 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-20040087491-A1 Electrophilic ketones for the treatment of herpesvirus infections KHK, HCK, PBK CCKAR 4209/4885CCKBR 4555/4885NPC1 1523/4885
US-20030119721-A1 Electrophilic ketones for the treatment of herpesvirus infections KHK, HCK, PBK CCKAR 4209/4885CCKBR 4555/4885NPC1 1523/4885

“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.