SCHEMBL675181

SCHEMBL675181

O=S(=O)(c1ccccc1)n1c2ccc(C=Cc3cccc(F)c3)cc2c2ccc(Cl)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.40
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
PARP1 P09874 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
PTGDR Q13258 2/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
TP53 P04637 3/20 0.37

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
SCHEMBL674753 0.92 TP53 (0.40) TP53MAPTHTR6SMN1; SMN2SRC
SCHEMBL678710 0.92 TP53 (0.40) TP53MAPTHTR6SMN1; SMN2SRC
SCHEMBL676108 0.89 HTR2A (0.43) NFE2L2TUBB4ATUBBPARP1TUBA3C
SCHEMBL675451 0.84 NFE2L2 (0.40) NFE2L2TUBB4ATUBBPARP1TUBA3C
SCHEMBL676360 0.83 HDAC3 (0.44) TP53MAPTHTR6SMN1; SMN2HDAC3
SCHEMBL3728167 0.82 PTGDR2 (0.37) NFE2L2TUBB4ATUBBPARP1TUBA3C
SCHEMBL675758 0.81 NFE2L2 (0.39) NFE2L2TUBB4ATUBBPARP1TUBA3C
SCHEMBL3667601 0.80 TP53 (0.41) TP53MAPTHTR2ASMN1; SMN2SRC
SCHEMBL674878 0.78 NFE2L2 (0.39) NFE2L2TUBB4ATUBBPARP1TUBA3C
SCHEMBL675280 0.77 HTR6 (0.44) MAPTHTR6SMN1; SMN2SRC

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
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 NFE2L2 845/4885TUBB4A 694/4885TUBB 314/4885

“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.