SCHEMBL6852823

SCHEMBL6852823

C1=Cc2cccnc2Oc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TRPA1 O75762 1/20 0.39
LMNA P02545 3/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL8105009 0.86 CA12 (0.42) CA12CA1CA2CA9MAPT
SCHEMBL10698743 0.80 MEN1 (0.46) CA12CA1CA2CA9MAPT
SCHEMBL17849587 0.78 CA12 (0.46) CA12CA1CA2CA9
SCHEMBL9099675 0.77 TRPA1 (0.61) CA12CA1CA2CA9MAPT
SCHEMBL5033603 0.77
Dibenzo[B,F]Oxepine SCHEMBL1650179 0.77 MEN1 (0.64) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL7702745 0.76 TRPA1 (0.65) CA12CA1CA2CA9MAPT
SCHEMBL11541615 0.76 CA12 (0.38) CA12CA1CA2CA9MAPT
SCHEMBL30317423 0.76 CA12 (0.38) CA12CA1CA2CA9MAPT
SCHEMBL26535663 0.72 AHR (0.44) CA12CA1CA2CA9MAPT

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-1448566-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-08-25 EP disclosed
WO-2003045942-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-06-05 WO disclosed
US-20020119973-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. 2002-08-29 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-20020119973-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR CCL11, ACKR3, CXCR4 CA12 3378/4885CA1 3601/4885CA2 3311/4885

“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.