SCHEMBL2928232

SCHEMBL2928232

O=Cc1cn(C(=O)OCc2ccc([N+](=O)[O-])cc2)c(Cc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ PTGES O14684 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL2927815 0.85 RAB9A (0.42) RAB9ATDP1KMT2AALDH1A1ATM
SCHEMBL2929023 0.75 RAB9A (0.38) RAB9ATDP1KMT2AALDH1A1NPC1
SCHEMBL2928341 0.74 ALDH1A1 (0.42) RAB9ATDP1KMT2AALDH1A1MEN1
SCHEMBL6151831 0.71 RAB9A (0.61) RAB9ATDP1KMT2AALDH1A1ATM
SCHEMBL6645015 0.71 RAB9A (0.61) RAB9ATDP1KMT2AALDH1A1ATM
SCHEMBL8716892 0.71 RAB9A (0.61) RAB9ATDP1KMT2AALDH1A1ATM
SCHEMBL20919972 0.69 ALDH1A1 (0.54) RAB9AKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL7166054 0.69 CNR1 (0.47) RAB9ATDP1KMT2AALDH1A1NPC1
SCHEMBL28696515 0.68 RAB9A (0.44) RAB9ATDP1KMT2AATMNPC1
Bicarbonate SCHEMBL30096531 0.68 ALDH1A1 (0.64) RAB9ATDP1KMT2AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499620-B1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES WYETH CORP (US) 2010-01-27 — — EP disclosed
EP-1499620-A1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES Wyeth (US) 2005-01-26 — — EP disclosed
US-20040132708-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-07-08 — — US disclosed
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-03-18 — — US disclosed
WO-2003093277-A1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES WYETH (US) 2003-11-13 — — 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-20040132708-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 RAB9A 1712/4885TDP1 4462/4885KMT2A 3127/4885
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 RAB9A 1712/4885TDP1 4462/4885KMT2A 3127/4885

“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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