SCHEMBL1975337

SCHEMBL1975337

Cc1[c]cc2[nH]cnc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.44
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
MMP12 P39900 1/20 0.38
PRKCI P41743 1/20 0.37
RAD52 P43351 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
QPCT Q16769 3/20 0.33
PARP1 P09874 2/20 0.33
PKM P14618 1/20 0.33
CYP3A4 P08684 1/20 0.33
NAMPT P43490 1/20 0.33
XDH P47989 1/20 0.33

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
SCHEMBL1869000 0.84 MAPT (0.44) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL14511179 0.70 MAPT (0.68) MAPTKDM4ETDP1ALDH1A1APEX1
Dimedazol SCHEMBL312977 0.70 MAPT (0.56) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL12445185 0.68 MAPT (0.65) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL29908926 0.67 PARP1 (0.56) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL10903 0.67 PARP1 (0.56) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL13275353 0.67 MAPT (0.47) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL15413217 0.67 PARP1 (0.56) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL31268592 0.65 MAPT (0.50) MAPTKDM4ETDP1ALDH1A1APEX1
Bromide SCHEMBL28994954 0.65 PARP1 (0.55) MAPTKDM4ETDP1ALDH1A1APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 EP disclosed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US disclosed
US-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US 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-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR MAPT 3482/4885KDM4E 1572/4885TDP1 1293/4885
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR MAPT 3482/4885KDM4E 1572/4885TDP1 1293/4885

“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.