SCHEMBL684239

SCHEMBL684239

O=C(NCCc1ccc2c(c1)c1cccnc1n2S(=O)(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.46
RXFP1 Q9HBX9 2/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ESRRG P62508 1/20 0.43
TSHR P16473 1/20 0.43
NPY5R Q15761 1/20 0.43
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
AKR1C3 P42330 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TGM2 P21980 1/20 0.42

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
SCHEMBL674212 0.87 PTGDR2 (0.42) PTGDR2MAPTMEN1KMT2AESRRG
SCHEMBL678637 0.82 PTGDR2 (0.47) PTGDR2
SCHEMBL675512 0.74 PTGDR2 (0.48) PTGDR2RXFP1MAPTLMNAALDH1A1
SCHEMBL679106 0.73 SRC (0.48) PTGDR2MAPTLMNAALDH1A1
SCHEMBL678635 0.72 PTGDR2 (0.46) PTGDR2MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL684505 0.72 KMT2A (0.51) MAPTMEN1KMT2AESRRGSMN1; SMN2
SCHEMBL675385 0.69 KDM4E (0.41) RXFP1MAPTMEN1KMT2ATSHR
SCHEMBL678662 0.68 PTGDR2 (0.53) PTGDR2MAPTTSHRRAB9AALDH1A1
SCHEMBL675129 0.67 HTR6 (0.39) TSHRLMNAALDH1A1
SCHEMBL11626499 0.67 MEN1 (0.67) RXFP1MAPTMEN1KMT2AESRRG

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 PTGDR2 3291/4885RXFP1 627/4885MAPT 1494/4885

“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.