SCHEMBL8080267

SCHEMBL8080267

O=C1Nc2ccccc2N2CCCCC12

nearest known ligand 0.91

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.91
GAA P10253 7/20 0.91
KDM4E B2RXH2 5/20 0.91
MAPT P10636 5/20 0.91
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
PARP1 P09874 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 4/20 0.55
CHEK1 O14757 1/20 0.52
MAP2K1 Q02750 1/20 0.52
HSD17B10 Q99714 3/20 0.51
ALOX15 P16050 2/20 0.51
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
OGFRL1 Q5TC84 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL15523572 0.98 GAA (0.88) ALDH1A1GAAKDM4EMAPTKMT2A
SCHEMBL7968278 0.95 ALDH1A1 (1.00) ALDH1A1GAAKDM4EMAPTKMT2A
SCHEMBL10502579 0.95 ALDH1A1 (1.00) ALDH1A1GAAKDM4EMAPTKMT2A
SCHEMBL7981536 0.95 ALDH1A1 (1.00) ALDH1A1GAAKDM4EMAPTKMT2A
SCHEMBL5710904 0.82 ALDH1A1 (0.62) ALDH1A1GAAKDM4EMAPTKMT2A
SCHEMBL14754066 0.80 KMT2A (0.61) ALDH1A1GAAKDM4EMAPTKMT2A
SCHEMBL8404564 0.79 ALDH1A1 (0.67) ALDH1A1GAAKDM4EMAPTKMT2A
SCHEMBL38658291 0.78 ALDH1A1 (0.65) ALDH1A1GAAKDM4EMAPTKMT2A
SCHEMBL25045478 0.77 HTR2C (0.67) ALDH1A1GAAKDM4EMAPTSMN1; SMN2
SCHEMBL3234186 0.77 HTR2C (0.67) ALDH1A1GAAKDM4EMAPTSMN1; SMN2

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-7790721-B2 Pyrroloquinoxalinone inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2010-09-07 US disclosed
US-20080161292-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-03 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 (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-20080161292-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 ALDH1A1 1358/4885GAA 565/4885KDM4E 4026/4885

“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.