SCHEMBL5860416

SCHEMBL5860416

CC(C)(C)OC(=O)C(Cc1ccccn1)(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 6/20 0.46
RAB9A P51151 5/20 0.46
MEN1 O00255 4/20 0.46
NPC1 O15118 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.38
MAPT P10636 4/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 1/20 0.38
OPRK1 P41145 1/20 0.38
STAT1 P42224 1/20 0.38
KLF5 Q13887 1/20 0.38
PKM P14618 1/20 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
SCHEMBL7787353 0.95 ALDH1A1 (0.44) RECQLALDH1A1POLBKMT2ARAB9A
SCHEMBL5860161 0.86 POLB (0.49) RECQLALDH1A1POLBKMT2ARAB9A
SCHEMBL12045056 0.74 KMT2A (0.45) ALDH1A1POLBKMT2ARAB9AMEN1
SCHEMBL6489438 0.73 POLB (0.51) ALDH1A1POLBKMT2ARAB9AMEN1
SCHEMBL28359072 0.72 ALDH1A1 (0.51) ALDH1A1POLBLMNACYP2C19MAPT
SCHEMBL3530965 0.72 ALDH1A1 (0.51) ALDH1A1POLBLMNACYP2C19MAPT
SCHEMBL5862734 0.71 ALDH1A1 (0.46) ALDH1A1POLBKMT2ARAB9AMEN1
SCHEMBL5861519 0.71 TRPM8 (0.47) ALDH1A1KMT2ARAB9AMEN1NPC1
SCHEMBL5860103 0.70 KMT2A (0.46) ALDH1A1POLBKMT2ARAB9AMEN1
SCHEMBL5860443 0.70 L3MBTL1 (0.41) ALDH1A1KMT2ARAB9AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7012146-B2 Ion channel modulating agents POSEIDON PHARMACEUTICALS A/S (DK) 2006-03-14 US claimed
US-20020169203-A1 Ion channel modulating agents NEUROSEARCH A/S (DK) 2002-11-14 US claimed
EP-1140784-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2001-10-10 EP claimed
WO-2000037422-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2000-06-29 WO claimed
US-7012146-B2 Ion channel modulating agents POSEIDON PHARMACEUTICALS A/S (DK) 2006-03-14 US disclosed
US-20020169203-A1 Ion channel modulating agents NEUROSEARCH A/S (DK) 2002-11-14 US disclosed
EP-1140784-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2001-10-10 EP disclosed
WO-2000037422-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2000-06-29 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-20020169203-A1 Ion channel modulating agents KCNN3, KCNN1, KCNN2 RECQL 2506/4885ALDH1A1 4482/4885POLB 4824/4885

“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.