SCHEMBL677696

SCHEMBL677696

CC(C)(C)C(=O)CSc1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
APEX1 P27695 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
PTGES O14684 1/20 0.40
CTSK P43235 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
DUSP10 Q9Y6W6 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL673059 0.84 MAOA (0.47) MAOAKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL12868378 0.82 ALDH1A1 (0.56) RAB9AKMT2ASMN1; SMN2ALDH1A1APEX1
SCHEMBL670378 0.81 MAOA (0.51) MAOASMN1; SMN2ALDH1A1MAPTAPEX1
SCHEMBL34465856 0.80 MAOA (0.44) MAOAALDH1A1MAPTAPEX1CA1
SCHEMBL3346137 0.80 MAOA (0.44) MAOAALDH1A1MAPTAPEX1CA1
SCHEMBL6089528 0.80 APEX1 (0.64) MAOAKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL677695 0.79 FFAR1 (0.61) RAB9AKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL671195 0.79 MAOA (0.49) MAOARAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL11217164 0.78 MAOA (0.47) MAOASMN1; SMN2ALDH1A1MAPTAPEX1
SCHEMBL11217165 0.78 SMN1; SMN2 (0.62) MAOAKMT2ASMN1; SMN2ALDH1A1APEX1

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-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

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 MAOA 4462/4885RAB9A 2539/4885KMT2A 492/4885

“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.