SCHEMBL4764941

SCHEMBL4764941

Cc1cc(C(=O)N2CCNCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
KDM4E B2RXH2 1/20 0.72
L3MBTL1 Q9Y468 2/20 0.62
BLM P54132 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.60
MEN1 O00255 1/20 0.60
NPBWR1 P48145 1/20 0.60
KMT2A Q03164 1/20 0.60
MCHR1 Q99705 1/20 0.60
GAA P10253 3/20 0.57
TSHR P16473 1/20 0.56
HSP90AA1 P07900 1/20 0.50
LMNA P02545 2/20 0.49
MGAM O43451 1/20 0.49
AMY1A P0DUB6 1/20 0.49
SI P14410 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
HTT P42858 1/20 0.48
HPGD P15428 1/20 0.48
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL29601441 0.89 GAA (0.72) ALDH1A1KDM4EL3MBTL1BLMSMN1; SMN2
SCHEMBL14236785 0.87 ALDH1A1 (0.78) ALDH1A1KDM4EL3MBTL1BLMSMN1; SMN2
SCHEMBL15172174 0.86 ALDH1A1 (0.76) ALDH1A1KDM4EL3MBTL1BLMSMN1; SMN2
SCHEMBL14236801 0.86 ALDH1A1 (0.76) ALDH1A1KDM4EL3MBTL1BLMSMN1; SMN2
SCHEMBL14324542 0.86 ALDH1A1 (0.76) ALDH1A1KDM4EL3MBTL1BLMSMN1; SMN2
SCHEMBL2946066 0.85 ALDH1A1 (0.74) ALDH1A1KDM4EL3MBTL1BLMSMN1; SMN2
SCHEMBL2944851 0.84 ALDH1A1 (1.00) ALDH1A1KDM4EL3MBTL1BLMSMN1; SMN2
SCHEMBL11299599 0.83 PKM (0.52) ALDH1A1KDM4EL3MBTL1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL29753302 0.82 PKM (0.51) ALDH1A1KDM4EL3MBTL1SMN1; SMN2MEN1
SCHEMBL12311741 0.81 HPGD (0.65) ALDH1A1SMN1; SMN2TSHRHTTHPGD

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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 ALDH1A1 238/4885KDM4E 3146/4885L3MBTL1 2909/4885

“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.