SCHEMBL6325567

SCHEMBL6325567

Oc1ccc(-c2noc(CCCBr)n2)cc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 10/20 0.75
ALDH1A1 P00352 2/20 0.51
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HCAR2 Q8TDS4 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NOTUM Q6P988 1/20 0.46

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
SCHEMBL28869644 0.84 SIRT2 (0.75) SIRT2ATMTDP1L3MBTL1NPC1
SCHEMBL12171565 0.84 SIRT2 (0.69) SIRT2ALDH1A1ATMNPC1RAB9A
SCHEMBL6325165 0.77 TSHR (0.76) ALDH1A1ATMHCAR2NPC1RAB9A
SCHEMBL6112858 0.77 ACACB (0.59) SIRT2TDP1HCAR2NPC1RAB9A
SCHEMBL26009685 0.77 NOTUM (0.56) SIRT2TDP1L3MBTL1HCAR2NPC1
SCHEMBL11637969 0.74 TDP1 (0.62) SIRT2ATMTDP1L3MBTL1NPC1
SCHEMBL26887830 0.73 SIRT2 (0.47) SIRT2ALDH1A1ATMTDP1L3MBTL1
SCHEMBL6333033 0.73 LMNA (0.61) ALDH1A1ATMHCAR2NPC1RAB9A
SCHEMBL14940416 0.71 SIRT2 (0.52) SIRT2ALDH1A1L3MBTL1RAB9ATSHR
SCHEMBL8564550 0.71 SIRT2 (0.72) SIRT2ALDH1A1ATMTDP1L3MBTL1

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
EP-1423120-A4 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORP (US) 2005-12-28 EP disclosed
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
CN-1568187-A 2H-2,3-dinitrogen phenodiazine-1-ketone and using method thereof ICOS CORP (US) 2005-01-19 CN disclosed
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 EP disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 US disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 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 (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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 SIRT2 75/4885ALDH1A1 338/4885ATM 414/4885

“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.