SCHEMBL2213043

SCHEMBL2213043

CC(C(=O)O)c1nc(-c2ccccc2[N+](=O)[O-])no1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ABCB1 P08183 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
ADAMTS4 O75173 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 2/20 0.40
TP53 P04637 3/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PDE4B Q07343 1/20 0.39
GUSB P08236 1/20 0.39
F2 P00734 1/20 0.39
C1R P00736 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 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
SCHEMBL6367677 0.78 MAPT (0.52) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL6106516 0.76 NPC1 (0.58) MAPTKMT2ANPC1RAB9AMAPK1
SCHEMBL10553914 0.75 MAPT (0.49) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL11477671 0.74 RAB9A (0.61) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL27598305 0.73 MAPT (0.43) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL2213047 0.72 ALDH1A1 (0.60) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL14374411 0.72 MAPT (0.50) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL11672909 0.70 ALDH1A1 (0.60) MAPTKMT2AALDH1A1ADAMTS4TDP1
SCHEMBL2431833 0.69 CYP1A2 (0.63) MAPTALDH1A1ADAMTS4TDP1
SCHEMBL2431836 0.69 CYP1A2 (0.63) MAPTALDH1A1ADAMTS4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389616-B1 3,4-Dihalobenzylpiperidine derivatives and their medical use MITSUBISHI TANABE PHARMA CORP (JP) 2011-07-27 EP disclosed
CN-100384838-C Novel benzylpiperidine compound MITSUBISHI PHARMA CORP (JP) 2008-04-30 CN disclosed
US-7115635-B2 Benzylpiperidine compound MITSUBISHI PHARMA CORPORATION (JP) 2006-10-03 US disclosed
US-20040158071-A1 Chemokine inhibitors and stability in blood MITSUBISHI PHARMA CORPORATION (JP) 2004-08-12 US disclosed
CN-1505626-A Novel benzylpiperidine compound ������ҩ��ʽ���� 2004-06-16 CN disclosed
EP-1389616-A1 NOVEL BENZYLPIPERIDINE COMPOUND Mitsubishi Pharma Corporation (JP) 2004-02-18 EP 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-20040158071-A1 Chemokine inhibitors and stability in blood CCL2, CXCR1, CCR5 MAPT 4797/4885KMT2A 3818/4885ALDH1A1 521/4885

“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.