SCHEMBL5459975

SCHEMBL5459975

NOCc1cccc2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
MMP2 P08253 3/20 0.48
KDM4E B2RXH2 3/20 0.48
TSHR P16473 2/20 0.48
HTT P42858 2/20 0.48
MMP9 P14780 2/20 0.48
GMNN O75496 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
HSP90AA1 P07900 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
MMP8 P22894 1/20 0.48
CCR1 P32246 1/20 0.48
THPO P40225 1/20 0.48
MTOR P42345 1/20 0.48
MMP13 P45452 1/20 0.48
CCR5 P51681 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
SCHEMBL3145084 0.81 RAB9A (0.53) MAPTMMP2KDM4ETSHRHTT
SCHEMBL13447596 0.79 KDM4E (0.45) MAPTMMP2KDM4ETSHRHTT
SCHEMBL25802198 0.79 KDM4E (0.45) MAPTMMP2KDM4ETSHRHTT
SCHEMBL895544 0.79 MMP2 (0.54) MAPTMMP2KDM4ETSHRHTT
SCHEMBL28479085 0.78 PARP1 (0.53) MAPTMMP2KDM4ETSHRHTT
SCHEMBL5014389 0.78 MAPT (0.44) MAPTKDM4EMEN1KMT2AIDO1
SCHEMBL28707626 0.77 MMP2 (0.48) MAPTMMP2KDM4ETSHRHTT
SCHEMBL27810285 0.77 MMP2 (0.44) MAPTMMP2KDM4ETSHRHTT
SCHEMBL16825440 0.77 KDM4E (0.44) MAPTMMP2KDM4ETSHRHTT
SCHEMBL13412790 0.77 MEN1 (0.48) MAPTMMP2KDM4ETSHRHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227233-B1 IDO INHIBITORS NEWLINK GENETICS (US) 2013-02-13 EP claimed
US-20070042975-A1 Novel indolopyrrolocarbazole derivative with antitumor activity BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1666485-A1 NOVEL INDOLOPYRROLOCARBAZOLE DERIVATIVE WITH ANTITUMOR ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-06-07 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-20070042975-A1 Novel indolopyrrolocarbazole derivative with antitumor activity HK1, G6PD, HK2 MAPT 3761/4885MMP2 2528/4885KDM4E 1982/4885

“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.