SCHEMBL3278975

SCHEMBL3278975

Cc1nn(CC(=O)Nc2sc3c(c2C#N)CCCC3)c(C)c1[N+](=O)[O-]

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.78
HPGD P15428 4/20 0.78
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
HTT P42858 1/20 0.68
MAPT P10636 4/20 0.59
POLB P06746 4/20 0.58
LMNA P02545 1/20 0.58
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
RAB9A P51151 3/20 0.57
GAA P10253 1/20 0.57
ESR2 Q92731 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 1/20 0.53
USP2 O75604 1/20 0.52
MAPK1 P28482 1/20 0.52
ATM Q13315 1/20 0.52

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
SCHEMBL3285724 0.85 ALDH1A1 (0.79) ALDH1A1HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL6437855 0.85 ALDH1A1 (0.58) ALDH1A1HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL3283020 0.85 POLB (0.61) ALDH1A1HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL3918756 0.84 ALDH1A1 (0.70) ALDH1A1HPGDHTTMAPTPOLB
SCHEMBL3921443 0.83 GAA (0.63) ALDH1A1HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL3279858 0.83 ALDH1A1 (0.73) ALDH1A1HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL3914838 0.80 GAA (0.76) ALDH1A1HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL3280341 0.77 ALDH1A1 (0.73) ALDH1A1HPGDMAPTPOLBLMNA
SCHEMBL3278490 0.77 ALDH1A1 (0.73) ALDH1A1HPGDMAPTPOLBLMNA
SCHEMBL3278707 0.77 ALDH1A1 (0.67) ALDH1A1HPGDHTTMAPTPOLB

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
US-7700615-B2 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2010-04-20 US disclosed
EP-1576110-A4 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2007-11-07 EP disclosed
US-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. 2006-06-15 US disclosed
US-7012100-B1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2006-03-14 US disclosed
EP-1576110-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER Avolix Pharmaceuticals (US) 2005-09-21 EP disclosed
WO-2003102153-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2003-12-11 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-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer MKI67, DCX, NUDC ALDH1A1 1944/4885HPGD 1603/4885CYP1A2 3659/4885

“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.