SCHEMBL6716874

SCHEMBL6716874

O=C(CCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1C(=O)C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.67
▸ ALDH1A1 P00352 5/20 0.61
▸ RAB9A P51151 5/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ NPC1 O15118 4/20 0.56
▸ GAA P10253 2/20 0.55
▸ MAPT P10636 5/20 0.53
▸ POLB P06746 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6719405 0.82 RAB9A (0.64) LMNAALDH1A1RAB9ANPC1GAA
SCHEMBL29664530 0.82 LMNA (0.74) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL6718898 0.81 POLB (0.66) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL7754151 0.77 LMNA (0.66) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL28780947 0.76 LMNA (0.63) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL28897572 0.75 LMNA (0.79) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL28443070 0.75 LMNA (0.79) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL4016784 0.74 ALDH1A1 (0.73) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL27520438 0.74 MEN1 (0.69) LMNARAB9AMEN1KMT2AGAA
SCHEMBL27546606 0.74 ALDH1A1 (0.65) LMNAALDH1A1RAB9AMEN1KMT2A

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 LMNA 2197/4885ALDH1A1 747/4885RAB9A 1684/4885
US-20030119721-A1 Electrophilic ketones for the treatment of herpesvirus infections KHK, HCK, PBK LMNA 2197/4885ALDH1A1 747/4885RAB9A 1684/4885

“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.

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