SCHEMBL2176406

SCHEMBL2176406

CCN(c1ccc(F)cc1[N+](=O)[O-])[C@@H](C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.47
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH3A1 P30838 1/20 0.39

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
SCHEMBL9463826 0.76 HCAR3 (0.59) HCAR3ALDH1A1HTTMAPTMEN1
SCHEMBL16540700 0.73 ATM (0.49) HCAR3MAPT
SCHEMBL4732740 0.73 KMT2A (0.55) HCAR3ALDH1A1HTTMAPTMAPK1
SCHEMBL1136123 0.72 ATM (0.47) HCAR3ALDH1A1HTTMAPTALDH3A1
SCHEMBL1135955 0.71 ATM (0.44) HCAR3ALDH1A1HTTMAPTMEN1
SCHEMBL2334592 0.71 EPHX2 (0.38) ALDH1A1NPC1SMN1; SMN2
SCHEMBL1970520 0.71 ATM (0.46) ALDH1A1HTTMAPT
SCHEMBL1970519 0.71 ATM (0.46) ALDH1A1HTTMAPT
SCHEMBL12898487 0.71 ATM (0.46) HCAR3ALDH1A1HTTMAPTALDH3A1
SCHEMBL17967396 0.70 ALDH1A1 (0.48) HCAR3ALDH1A1HTTMAPTMEN1

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-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 EP disclosed
EP-2342191-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE Mitsubishi Tanabe Pharma Corporation (JP) 2011-07-13 EP disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B HCAR3 1581/4885ALDH1A1 1520/4885HTT 3952/4885

“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.