SCHEMBL17585394

SCHEMBL17585394

COc1cccc(NC(=O)Cn2c(SCC(=O)Nc3ccc(C)cc3)nnc2-c2ccncc2)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.65
▸ MAPK1 P28482 2/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ PKM P14618 2/20 0.61
▸ HPGD P15428 1/20 0.61
▸ MAPT P10636 3/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ LMNA P02545 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ TP53 P04637 1/20 0.54
▸ RAB9A P51151 1/20 0.54

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
SCHEMBL16180658 0.94 TSHR (0.64) TSHRMAPK1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL29458475 0.88 TSHR (0.81) TSHRMAPK1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL18559277 0.79 TSHR (1.00) TSHRMAPK1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL13832027 0.79 NPSR1 (0.70) TSHRSMN1; SMN2ALDH1A1MAPTALOX15
SCHEMBL16486900 0.78 SMN1; SMN2 (0.74) MAPK1L3MBTL1SMN1; SMN2ALDH1A1PKM
SCHEMBL13831882 0.76 KMT2A (0.71) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL18559288 0.76 ALDH1A1 (0.67) TSHRMAPK1L3MBTL1ALDH1A1KDM4E
SCHEMBL13831340 0.76 NPC1 (0.69) TSHRMAPK1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL13831362 0.75 TDP1 (0.59) TSHRL3MBTL1SMN1; SMN2ALDH1A1TDP1
SCHEMBL29692270 0.75 LMNA (0.71) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1

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-20170190709-A1 NOVEL COMPOSITIONS USEFUL IN TREATING BRAIN-RELATED DISEASES OR DISORDERS AND METHODS USING SAME UNIV DREXEL (US) 2017-07-06 — — US disclosed
US-9616065-B2 Compositions useful in treating brain-related diseases or disorders and methods using same DREXEL UNIVERSITY (US) 2017-04-11 — — US disclosed
US-20160074408-A1 NOVEL COMPOSITIONS USEFUL IN TREATING BRAIN-RELATED DISEASES OR DISORDERS AND METHODS USING SAME DREXEL UNIVERSITY (US) 2016-03-17 — — 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 (2 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-20170190709-A1 NOVEL COMPOSITIONS USEFUL IN TREATING BRAIN-RELATED DISEASES OR DISORDERS AND METHODS USING SAME SLC18A2, SLC6A2, SLC1A2 TSHR 2198/4885MAPK1 3784/4885L3MBTL1 4464/4885
US-20160074408-A1 NOVEL COMPOSITIONS USEFUL IN TREATING BRAIN-RELATED DISEASES OR DISORDERS AND METHODS USING SAME SLC18A2, SLC18A3, SLC1A2 TSHR 2338/4885MAPK1 3662/4885L3MBTL1 4509/4885

“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.

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