SCHEMBL6429133

SCHEMBL6429133

COc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.71
PKM P14618 2/20 0.71
TDP1 Q9NUW8 1/20 0.71
MITF O75030 6/20 0.63
ALDH1A1 P00352 3/20 0.62
MAPT P10636 7/20 0.61
TSHR P16473 2/20 0.61
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
PAX8 Q06710 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
S1PR4 O95977 1/20 0.56
LMNA P02545 1/20 0.56
S1PR1 P21453 1/20 0.56
GFER P55789 2/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SLC6A9 P48067 1/20 0.55
SLC6A5 Q9Y345 1/20 0.55

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
SCHEMBL6427583 0.88 POLB (0.74) POLBPKMTDP1MITFALDH1A1
SCHEMBL31349311 0.85 POLB (0.76) POLBMITFALDH1A1MAPTMEN1
SCHEMBL6429461 0.85 POLB (0.70) POLBPKMTDP1MITFALDH1A1
SCHEMBL6429048 0.85 ALDH1A1 (0.63) POLBPKMTDP1MITFALDH1A1
SCHEMBL6427605 0.84 ALDH1A1 (0.66) POLBPKMMITFALDH1A1MAPT
SCHEMBL6427542 0.84 ALDH1A1 (0.69) POLBPKMTDP1MITFALDH1A1
SCHEMBL31349253 0.84 ALDH1A1 (0.62) POLBPKMTDP1MITFALDH1A1
SCHEMBL31349296 0.82 POLB (0.66) POLBPKMMITFALDH1A1MAPT
SCHEMBL31349313 0.82 ALDH1A1 (0.63) POLBPKMTDP1MITFALDH1A1
SCHEMBL31349326 0.82 ALDH1A1 (0.66) POLBPKMTDP1MITFALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-08-19 US disclosed
US-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-10-06 US 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 (2 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-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, NDUFS5 POLB 2506/4885PKM 3371/4885TDP1 4560/4885
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP POLB 425/4885PKM 237/4885TDP1 2465/4885

“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.