SCHEMBL676610

SCHEMBL676610

O=[N+]([O-])c1cccc(-c2ccc3c(c2)c2ccc(Cl)nc2n3S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
CYP2C8 P10632 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C18 P33260 1/20 0.42
CYP2C19 P33261 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
POLB P06746 1/20 0.40
PIK3CD O00329 1/20 0.40
MTOR P42345 1/20 0.40
GBA1 P04062 1/20 0.40
DCTPP1 Q9H773 1/20 0.40
CCNT1 O60563 1/20 0.39
FLT3 P36888 1/20 0.39
PIK3CA P42336 1/20 0.39
CDK7 P50613 1/20 0.39

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
SCHEMBL3668236 0.88 HTR6 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL674647 0.83 MAPT (0.43) ALDH1A1CYP2C8CYP2C9CYP2C18CYP2C19
SCHEMBL3721754 0.82 ALDH1A1 (0.40) ALDH1A1CYP2C8CYP2C9CYP2C18CYP2C19
SCHEMBL675472 0.81 SRC (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL676160 0.81 NOD1 (0.44) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL675245 0.79 HTR6 (0.45) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL13464039 0.79 POLB (0.41) ALDH1A1POLBCFTRPGRMEN1
SCHEMBL3669859 0.77 ALDH1A1 (0.39) ALDH1A1DCTPP1NOD1MAPT
SCHEMBL675280 0.77 HTR6 (0.44) DCTPP1MEN1KMT2ANOD1MAPT
SCHEMBL675183 0.75 HTR6 (0.47) ALDH1A1PSEN1PSEN2APH1BNCSTN

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 10 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 claimed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US claimed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP claimed
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-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-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
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
WO-2010025872-A2 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2010-03-11 WO disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 ALDH1A1 749/4885CYP2C8 4077/4885CYP2C9 4347/4885

“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.