SCHEMBL5581335

SCHEMBL5581335

NC(=O)c1cc(N2CC2)c(N)cc1[N+](=O)[O-]

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.78
CYP3A4 P08684 1/20 0.78
BLM P54132 1/20 0.78
PMP22 Q01453 1/20 0.78
ALDH1A1 P00352 9/20 0.48
GAA P10253 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
PKM P14618 1/20 0.48
LMNA P02545 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.46
CTPS1 P17812 1/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.42
NOD1 Q9Y239 1/20 0.42

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
SCHEMBL5827945 0.88 MAPT (0.78) MAPTCYP3A4BLMPMP22ALDH1A1
Tretazicar SCHEMBL366755 0.88 MAPT (1.00) MAPTCYP3A4BLMPMP22ALDH1A1
Tretazicar SCHEMBL29375352 0.88 MAPT (1.00) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL13685668 0.85 MAPT (0.78) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL29391567 0.81 MAPT (0.72) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL446497 0.81 MAPT (0.72) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL3362694 0.81 MAPT (0.72) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL6571188 0.79 MAPT (0.68) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL27754610 0.79 MAPT (0.68) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL23293826 0.78 MAPT (0.67) MAPTCYP3A4BLMPMP22ALDH1A1

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-20070166296-A1 Therapeutic Systems ENZACTA R & D LIMITED 2007-07-19 US disclosed
US-7138122-B2 Therapeutic systems ENZACTA R & D LIMITED (GB) 2006-11-21 US disclosed
EP-0988059-B8 HUMAN QUINONE REDUCTASE 2 CONJUGATES FOR ADEPT AND GDEPT PROTHERICS MOLECULAR DESIGN LT (GB) 2006-03-01 EP disclosed
EP-0988059-B1 HUMAN QUINONE REDUCTASE 2 CONJUGATES FOR ADEPT AND GDEPT ENZACTA R & D LTD (GB) 2005-12-07 EP disclosed
US-6867231-B1 Therapeutic systems ENZACTA R & D LIMITED (GB) 2005-03-15 US disclosed
EP-1468698-A2 HUMAN QUINONE REDUCTASE 2 CONJUGATES FOR ADEPT AND GDEPT ENZACTA R & D LIMITED (GB) 2004-10-20 EP disclosed
US-20030086933-A1 Therapeutic systems ENZACTA R & D LIMITED 2003-05-08 US disclosed
EP-0988059-A2 HUMAN QUINONE REDUCTASE 2 CONJUGATES FOR ADEPT AND GDEPT ENZACTA R & D LIMITED (GB) 2000-03-29 EP disclosed
WO-1998057662-A2 THERAPEUTIC SYSTEMS ENZACTA R & D LIMITED (GB) 1998-12-23 WO disclosed
EP-0429454-A1 IMPROVEMENTS RELATING TO THE CONTROL OF NEOPLASTIC TISSUE GROWTH Roberts, John J. (GB) 1991-06-05 EP disclosed
EP-0330432-A1 Improvements relating to the control of neoplastic tissue growth Roberts, John J. (GB) 1989-08-30 EP disclosed
WO-1989007592-A1 IMPROVEMENTS RELATING TO THE CONTROL OF NEOPLASTIC TISSUE GROWTH ROBERTS JOHN J (GB) 1989-08-24 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-20070166296-A1 Therapeutic Systems NQO2, NQO1, NAPRT MAPT 4009/4885CYP3A4 1278/4885BLM 3340/4885
US-20030086933-A1 Therapeutic systems NQO2, NQO1, NAPRT MAPT 4009/4885CYP3A4 1278/4885BLM 3340/4885

“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.