SCHEMBL679342

SCHEMBL679342

O=[N+]([O-])/C=C/c1ccc2[nH]c3ncccc3c2c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 9/20 0.51
TLR2 O60603 9/20 0.51
VCP P55072 2/20 0.47
FBP1 P09467 6/20 0.45
CHEK1 O14757 1/20 0.42
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
ABL2 P42684 1/20 0.41
MAPT P10636 1/20 0.41
IDO1 P14902 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL11772249 0.82 FBP1 (0.56) VCPFBP1ABL1EGFRABL2
SCHEMBL676041 0.81 FBP1 (0.47) TLR4TLR2VCPFBP1ABL1
SCHEMBL678791 0.81 FBP1 (0.47) TLR4TLR2VCPFBP1ABL1
SCHEMBL678622 0.79 KIF11 (0.61) CHEK1MAPT
SCHEMBL18388850 0.77 PARP1 (0.58) CHEK1EGFRMAPT
SCHEMBL7983662 0.74 FBP1 (0.44) TLR4TLR2VCPFBP1EGFR
SCHEMBL8687739 0.69 CNR1 (0.53) TLR4TLR2VCPFBP1MAPT
SCHEMBL8133534 0.69 KMT2A (0.60) TLR4TLR2VCPCHEK1MAPT
SCHEMBL8133535 0.69 KMT2A (0.60) TLR4TLR2VCPCHEK1MAPT
SCHEMBL21069968 0.69 MEN1 (0.55) MAPTIDO1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 TLR4 2984/4885TLR2 3164/4885VCP 4179/4885

“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.