SCHEMBL675502

SCHEMBL675502

O=C(NCCc1ccc2[nH]c3nc(Cl)ccc3c2c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CNR1 P21554 3/20 0.47
SNCA P37840 2/20 0.45
MAPT P10636 4/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ESRRG P62508 1/20 0.44
KMT2A Q03164 2/20 0.44
PTGS2 P35354 1/20 0.44
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MAPK3 P27361 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
SCHEMBL676446 0.84 MEN1 (0.45) SNCAMAPTTP53RXFP1ESRRG
SCHEMBL676908 0.83 CNR1 (0.52) RAB9ANPC1SMN1; SMN2CNR1SNCA
SCHEMBL675623 0.83 HDAC2 (0.41) RAB9ANPC1CNR1MAPTLMNA
SCHEMBL675622 0.83 HDAC2 (0.41) RAB9ANPC1CNR1MAPTLMNA
SCHEMBL676445 0.83 MMP2 (0.42) RAB9ACNR1MAPTLMNATP53
SCHEMBL684505 0.82 KMT2A (0.51) RAB9ANPC1SMN1; SMN2MAPTESRRG
SCHEMBL676806 0.81 ADORA2A (0.44) RAB9ANPC1MAPTLMNAKMT2A
SCHEMBL675853 0.81 ALDH1A1 (0.51) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL675879 0.80 KDM5B (0.48) RAB9ANPC1SMN1; SMN2CNR1SNCA
SCHEMBL674656 0.80 MAPT (0.52) RAB9ANPC1SMN1; SMN2MAPTTP53

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
CN-102203092-A Alfa-carboline inhibitors of npm-alk, ret, and bcr-abl UNIV DEGLI STUDI MILANO 2011-09-28 CN 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 RAB9A 2539/4885NPC1 239/4885SMN1; 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.