SCHEMBL675428

SCHEMBL675428

O=[N+]([O-])c1ccc(-c2ccc3c(c2)c2cc(Cl)cnc2n3S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
NOD1 Q9Y239 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
DCTPP1 Q9H773 1/20 0.38
AR P10275 1/20 0.38
NR1I2 O75469 1/20 0.38
ALOX5 P09917 1/20 0.37
AGTR1 P30556 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL13460984 0.90 ACLY (0.43) SRCHPGDPSEN1PSEN2APH1B
SCHEMBL3664241 0.90 ACLY (0.43) SRCHPGDPSEN1PSEN2APH1B
SCHEMBL675427 0.86 DCTPP1 (0.37) SRCKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL675829 0.85 SRC (0.45) SRCPSEN1PSEN2APH1BNCSTN
SCHEMBL674230 0.83 HTR6 (0.44) KMT2AMEN1HPGDPTGDR2PSEN1
SCHEMBL3670473 0.82 PTGDR2 (0.42) SRCKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL676160 0.80 NOD1 (0.44) SRCKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL676132 0.79 LMNA (0.36) SRCLMNAHPGDPTGDR2DCTPP1
SCHEMBL677841 0.79 NPC1 (0.41) SRCDCTPP1PSEN1PSEN2APH1B
SCHEMBL674527 0.79 NPC1 (0.41) SRCDCTPP1PSEN1PSEN2APH1B

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 SRC 178/4885KMT2A 492/4885SMN1; SMN2 3499/4885

“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.