SCHEMBL3339968

SCHEMBL3339968

N/C(=N\O)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.69
HSD17B10 Q99714 1/20 0.53
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
POLB P06746 3/20 0.51
PKM P14618 1/20 0.51
MAPT P10636 6/20 0.48
GAA P10253 2/20 0.48
MAPK1 P28482 2/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 2/20 0.47
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL3339971 1.00 KMT2A (0.69) KMT2AHSD17B10RAB9ANPC1POLB
Aklomide SCHEMBL328368 0.81 KMT2A (1.00) KMT2AHSD17B10RAB9ANPC1POLB
Aklomide SCHEMBL29637033 0.81 KMT2A (1.00) KMT2AHSD17B10RAB9ANPC1POLB
SCHEMBL1949725 0.81 ALDH1A1 (0.54) KMT2ARAB9ANPC1POLBMAPT
SCHEMBL15392343 0.81 KMT2A (0.47) KMT2ARAB9ANPC1POLBMAPT
SCHEMBL15392344 0.81 KMT2A (0.47) KMT2ARAB9ANPC1POLBMAPT
SCHEMBL31426400 0.81 KMT2A (0.47) KMT2ARAB9ANPC1POLBMAPT
SCHEMBL7894205 0.81 ALDH1A1 (0.54) KMT2ARAB9ANPC1POLBMAPT
SCHEMBL6890670 0.80 KMT2A (0.73) KMT2AHSD17B10RAB9ANPC1POLB
SCHEMBL11483217 0.80 ALDH1A1 (0.53) KMT2AMAPTGAAHTTALDH1A1

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-2853532-B1 1,2,4-oxadiazole derivatives as allosteric modulators of metabotropic glutamate receptors belonging to group III INST FARMAKOLOGII POLSKIEJ AKADEMII NAUK (PL) 2020-12-09 EP disclosed
EP-2853532-A1 1,2,4-oxadiazole derivatives as allosteric modulators of metabotropic glutamate receptors belonging to group III Instytut Farmakologii Polskiej Akademii Nauk (PL) 2015-04-01 EP disclosed
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 US disclosed
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 US disclosed
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 US disclosed
WO-2010065760-A1 IMIDAZO [1,2A] PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION EXELIXIS, INC. (US) 2010-06-10 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-20100160369-A1 S1P1 Agonists and Methods of Making And Using S1PR1, S1PR5, S1PR3 KMT2A 3600/4885HSD17B10 1648/4885RAB9A 2844/4885

“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.