SCHEMBL3489531

SCHEMBL3489531

COc1ccc(Oc2ccc(N)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
MAPT P10636 6/20 0.59
HTT P42858 3/20 0.59
GAA P10253 1/20 0.59
HPGD P15428 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
POLB P06746 2/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 3/20 0.49
PKM P14618 2/20 0.49
KDM4E B2RXH2 1/20 0.49
G6PD P11413 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49

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
SCHEMBL27774544 0.90 ALDH1A1 (0.61) ALDH1A1MAPTHTTGAAHPGD
SCHEMBL204041 0.90 ALDH1A1 (0.61) ALDH1A1MAPTHTTGAAHPGD
SCHEMBL29776250 0.90 ALDH1A1 (0.62) ALDH1A1MAPTHTTGAAHPGD
SCHEMBL866003 0.90 ALDH1A1 (0.62) ALDH1A1MAPTHTTGAAHPGD
SCHEMBL5955457 0.87 ALDH1A1 (0.60) ALDH1A1MAPTHTTGAAHPGD
SCHEMBL11211363 0.87 TSHR (0.67) ALDH1A1MAPTHTTGAAHPGD
SCHEMBL29552608 0.87 TDP1 (0.65) ALDH1A1MAPTHTTTSHRTDP1
SCHEMBL554702 0.87 TDP1 (0.65) ALDH1A1MAPTHTTTSHRTDP1
Nitrogen SCHEMBL28840099 0.87 ALDH1A1 (0.58) ALDH1A1MAPTHTTGAAHPGD
SCHEMBL476349 0.85 ALDH1A1 (0.58) ALDH1A1MAPTHTTGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
EP-2125805-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY Astex Therapeutics Limited (GB) 2009-12-02 EP disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY PRKAR2B, GRK3, PRKAR2A ALDH1A1 4612/4885MAPT 3625/4885HTT 3298/4885

“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.