SCHEMBL2297137

SCHEMBL2297137

NC(=O)c1cccnn1.Oc1cc[nH]c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.45
AHR P35869 1/20 0.35
CES1 P23141 1/20 0.34
SIRT2 Q8IXJ6 2/20 0.33
SIRT1 Q96EB6 2/20 0.33
SIRT3 Q9NTG7 2/20 0.33
NNMT P40261 1/20 0.33
KMT2A Q03164 2/20 0.32
FAAH O00519 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CAPN1 P07384 1/20 0.32
F7 P08709 1/20 0.31
F3 P13726 1/20 0.31
SARM1 Q6SZW1 1/20 0.31
SIRT6 Q8N6T7 1/20 0.31
SIRT5 Q9NXA8 1/20 0.31
SIRT4 Q9Y6E7 1/20 0.31
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31

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
Pyrrole SCHEMBL2231536 0.82 P2RX7 (0.56) P2RX7AHRCES1SIRT2SIRT1
SCHEMBL667511 0.82
SCHEMBL29374491 0.82
SCHEMBL27790761 0.80
Water SCHEMBL30487780 0.80 P2RX7 (0.60) P2RX7AHRCES1SIRT2SIRT1
Hydrochloric Acid SCHEMBL28317610 0.80 P2RX7 (0.60) P2RX7AHRCES1SIRT2SIRT1
Hydrochloric Acid SCHEMBL17842884 0.80 P2RX7 (0.60) P2RX7AHRCES1SIRT2SIRT1
Imidazole SCHEMBL3721970 0.77 P2RX7 (0.46) P2RX7AHRCES1SIRT2SIRT1
SCHEMBL2232981 0.77 P2RX7 (0.46) P2RX7AHRCES1SIRT2SIRT1
Formic Acid SCHEMBL25288297 0.75 P2RX7 (0.55) P2RX7AHRCES1SIRT2SIRT1

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
US-20110263642-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS FIBROGEN, INC. (US) 2011-10-27 US disclosed
EP-2341904-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS Fibrogen, Inc. (US) 2011-07-13 EP disclosed
WO-2010024908-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS FIBROGEN, INC. (US) 2010-03-04 WO disclosed
WO-2010024911-A1 METHODS FOR INCREASING NEUROGENESIS FIBROGEN, INC. (US) 2010-03-04 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-20110263642-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS PMP22, MAG, NEFM P2RX7 1608/4885AHR 4573/4885CES1 2368/4885

“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.