SCHEMBL6432464

SCHEMBL6432464

O=C(NCc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])o1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
SMN1; SMN2 Q16637 1/20 0.63
HPGD P15428 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
LMNA P02545 3/20 0.62
HTT P42858 2/20 0.62
POLB P06746 2/20 0.62
MEN1 O00255 2/20 0.61
MAPK1 P28482 2/20 0.61
KMT2A Q03164 2/20 0.61
MMP13 P45452 1/20 0.61
TP53 P04637 2/20 0.61
HSD17B10 Q99714 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MAPT P10636 1/20 0.61
TSHR P16473 1/20 0.61
ALOX12 P18054 1/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
CRHBP P24387 1/20 0.60

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
SCHEMBL12443107 0.82 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2HPGDTDP1LMNA
SCHEMBL27915738 0.79 SMN1; SMN2 (0.71) ALDH1A1SMN1; SMN2HPGDTDP1LMNA
SCHEMBL6428768 0.78 LMNA (0.76) ALDH1A1TDP1LMNAHTTPOLB
SCHEMBL6428088 0.78 LMNA (0.76) ALDH1A1HPGDTDP1LMNAHTT
SCHEMBL15319165 0.78 LMNA (0.76) ALDH1A1SMN1; SMN2HPGDTDP1LMNA
SCHEMBL108263 0.78 ALDH1A1 (0.92) ALDH1A1HPGDTDP1LMNAPOLB
SCHEMBL8299456 0.78 HPGD (0.66) ALDH1A1SMN1; SMN2HPGDTDP1LMNA
SCHEMBL6940835 0.78 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2HPGDTDP1LMNA
SCHEMBL1040563 0.78 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2HPGDTDP1LMNA
SCHEMBL179085 0.77 RAB9A (0.76) ALDH1A1SMN1; SMN2HPGDTDP1LMNA

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
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-02-03 US claimed
US-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-10-06 US disclosed
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-02-03 US disclosed
WO-2005007625-A2 HETEROCYCLIC AMIDES WITH ANTI-TUBERCULOSIS ACTIVITY THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2005-01-27 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 (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 ALDH1A1 2116/4885SMN1; SMN2 4707/4885HPGD 660/4885
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, HDAC5 ALDH1A1 2819/4885SMN1; SMN2 4730/4885HPGD 632/4885

“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.