SCHEMBL675465

SCHEMBL675465

O=S(=O)(c1ccccc1)n1c2ccc(C=Cc3ccccc3)cc2c2c(Cl)ccnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 2/20 0.38
TP53 P04637 4/20 0.37
HDAC3 O15379 4/20 0.37
HDAC4 P56524 4/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC7 Q8WUI4 4/20 0.37
HDAC2 Q92769 4/20 0.37
HDAC10 Q969S8 4/20 0.37
HDAC11 Q96DB2 4/20 0.37
HDAC8 Q9BY41 4/20 0.37
HDAC6 Q9UBN7 4/20 0.37
HDAC9 Q9UKV0 4/20 0.37
HDAC5 Q9UQL6 4/20 0.37
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL678731 1.00 IP6K1 (0.38) IP6K1TP53HDAC3HDAC4HDAC1
SCHEMBL675758 0.92 NFE2L2 (0.39) TP53MAPTPTGDR2HTR6
SCHEMBL675268 0.91 HDAC3 (0.41) TP53HDAC3HDAC4HDAC1HDAC7
SCHEMBL3671974 0.88 IP6K1 (0.41) IP6K1TP53HDAC3HDAC4HDAC1
SCHEMBL675382 0.83 HTR6 (0.43) ENPP3ENPP1MAPTSMN1; SMN2KDM4E
SCHEMBL3662668 0.83 HTR6 (0.42) ENPP3ENPP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL674878 0.80 NFE2L2 (0.39) IP6K1TP53MAPTALDH1A1PTGDR2
SCHEMBL676525 0.80 GRM4 (0.39) IP6K1ENPP3ENPP1SMN1; SMN2KDM4E
SCHEMBL679195 0.80 SRC (0.40) IP6K1TP53HDAC3HDAC4HDAC1
SCHEMBL675484 0.80 SRC (0.40) IP6K1TP53HDAC3HDAC4HDAC1

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 5 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
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
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 IP6K1 3330/4885TP53 243/4885HDAC3 3179/4885

“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.