SCHEMBL4374769

SCHEMBL4374769

Cc1cccc2[nH]c(C3CC3)nc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
PARP1 P09874 5/20 0.52
PDE10A Q9Y233 2/20 0.51
MGAM O43451 9/20 0.47
GAA P10253 9/20 0.47
SI P14410 9/20 0.47
MGAM2 Q2M2H8 9/20 0.47
PARP2 Q9UGN5 1/20 0.46
ESR1 P03372 1/20 0.45

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
SCHEMBL7215446 0.91 PARP1 (0.61) ALDH1A1POLBMAPTHPGDTSHR
SCHEMBL7521358 0.87 MGAM (0.53) ALDH1A1POLBMAPTHPGDTSHR
SCHEMBL7524606 0.86 ALDH1A1 (0.45) ALDH1A1POLBMAPTHPGDTSHR
SCHEMBL742067 0.82 PARP1 (0.65) PARP1PDE10APARP2
SCHEMBL742068 0.82 PARP1 (0.65) PARP1PDE10APARP2
SCHEMBL7413495 0.81 PARP1 (0.58) PARP1PDE10APARP2
SCHEMBL3976724 0.79 ALDH1A1 (0.53) ALDH1A1POLBMAPTHPGDTSHR
SCHEMBL1917414 0.79 ALDH1A1 (0.53) ALDH1A1POLBMAPTHPGDTSHR
SCHEMBL31047345 0.79 POLB (0.53) ALDH1A1POLBMAPTHPGDTSHR
SCHEMBL7469714 0.79 PARP1 (0.53) PARP1PDE10APARP2

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
EP-1988091-B1 TRICYCLIC COMPOUNDS KYOWA HAKKO KIRIN CO LTD (JP) 2015-06-10 EP disclosed
US-8242151-B2 Tricyclic compounds KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-08-14 US disclosed
US-20090176760-A1 TRICYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-09 US disclosed
EP-1988091-A1 TRICYCLIC COMPOUNDS Kyowa Hakko Kogyo Co., Ltd (JP) 2008-11-05 EP 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-20090176760-A1 TRICYCLIC COMPOUNDS PPARG, PPARD, PPARA ALDH1A1 1421/4885POLB 2116/4885MAPT 4588/4885

“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.