SCHEMBL676809

SCHEMBL676809

O=S(=O)(c1ccccc1)n1c2ccc(C#CC3CCCCC3)cc2c2c(Cl)ccnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 2/20 0.40
SCN9A Q15858 5/20 0.35
HTR6 P50406 3/20 0.35
CYP1A2 P05177 1/20 0.34
GRM5 P41594 1/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
HAO1 Q9UJM8 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL676525 0.85 GRM4 (0.39) GRM5ALDH1A1KDM4EGAAPKM
SCHEMBL676253 0.83 PAX8 (0.40) PAX8SCN9AHTR6CYP1A2GRM5
SCHEMBL676169 0.82 PAX8 (0.40) PAX8SCN9AHTR6NPC1MAPT
SCHEMBL674634 0.80 NPC1 (0.46) HTR6CYP1A2GRM5NPC1RAB9A
SCHEMBL676265 0.79 PTGDR2 (0.35) PAX8HTR6NPC1RAB9AALDH1A1
SCHEMBL675382 0.76 HTR6 (0.43) HTR6MAPTALDH1A1KDM4EGAA
SCHEMBL3662668 0.76 HTR6 (0.42) HTR6ALDH1A1KDM4EGAAPKM
SCHEMBL675465 0.73 IP6K1 (0.38) HTR6MAPTALDH1A1KDM4EGAA
SCHEMBL678731 0.73 IP6K1 (0.38) HTR6MAPTALDH1A1KDM4EGAA
SCHEMBL675896 0.72 SRC (0.40) HTR6MAPTALDH1A1KDM4EGAA

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-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
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 PAX8 3014/4885SCN9A 1459/4885HTR6 4762/4885

“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.