SCHEMBL13313403

SCHEMBL13313403

Cc1ccc2cc(O)nc(O)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.50
CCR5 P51681 2/20 0.50
RAB9A P51151 1/20 0.50
METAP2 P50579 1/20 0.47
MAPT P10636 1/20 0.42
OPRK1 P41145 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 3/20 0.38
PARP1 P09874 1/20 0.37
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 1/20 0.35
CCR8 P51685 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
CASP6 P55212 1/20 0.34
CTSB P07858 1/20 0.34
CTSH P09668 1/20 0.34
NFKBIA P25963 1/20 0.34
RELA Q04206 1/20 0.34
MDM2 Q00987 1/20 0.33

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
SCHEMBL13313408 0.77 CCR1 (0.43) CCR1CCR5RAB9AMETAP2MAPT
Neocuproine SCHEMBL30753483 0.71 CCR1 (0.94) CCR1CCR5RAB9AMETAP2MAPT
SCHEMBL13313410 0.71 CCR1 (0.56) CCR1CCR5RAB9AMETAP2MAPT
SCHEMBL3275027 0.71 METAP2 (0.57) CCR1CCR5RAB9AMETAP2MAPT
SCHEMBL30564984 0.71 CCR1 (0.56) CCR1CCR5RAB9AMETAP2MAPT
SCHEMBL13439478 0.70 KDM4E (0.41) RAB9AMAPTKMT2ACYP1A2KDM4E
SCHEMBL13271240 0.69 CCR1 (0.48) CCR1CCR5RAB9AMETAP2MAPT
SCHEMBL729647 0.69 METAP2 (0.55) CCR1CCR5RAB9AMETAP2MAPT
Neocuproine SCHEMBL11672280 0.69 CCR1 (1.00) CCR1CCR5RAB9AMETAP2MAPT
Neocuproine SCHEMBL124563 0.69 CCR1 (1.00) CCR1CCR5RAB9AMETAP2MAPT

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
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2010-06-24 US disclosed
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2010-06-24 US disclosed
US-7692011-B2 8-hydroxy and 8-mercapto quinazolinones PRANA BIOTECHNOLOGY LIMITED (AU) 2010-04-06 US disclosed
US-7692011-B2 8-hydroxy and 8-mercapto quinazolinones PRANA BIOTECHNOLOGY LIMITED (AU) 2010-04-06 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-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS ACHE, PSEN1, PSEN2 CCR1 4660/4885CCR5 4645/4885RAB9A 684/4885

“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.