SCHEMBL18326390

SCHEMBL18326390

COc1cc2c(cc1Br)OCCN2Cc1ccccc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL16896933 0.79 HTR2A (0.38) POLBNR3C1PGRNR3C2HTR1A
SCHEMBL16896763 0.77 ACHE (0.42) L3MBTL1MAPTALDH1A1KDM4ELMNA
SCHEMBL31452933 0.73 USP30 (0.41) THRBMAPTUSP30TP53MEN1
SCHEMBL31580344 0.73 USP30 (0.41) THRBMAPTUSP30TP53MEN1
SCHEMBL12110101 0.73 P2RX3 (0.45) PKMMAPTUSP30TP53
SCHEMBL16896788 0.71 HTT (0.43) POLBHTR2ATSHRHTTMEN1
SCHEMBL18326391 0.70 CYP3A4 (0.42) MAPTALDH1A1KDM4ELMNAHTT
SCHEMBL30659636 0.68 GRM5 (0.40) POLBHTR1ASLC6A4MAPTALDH1A1
SCHEMBL18581197 0.68 HDAC1 (0.51) PKMMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL19859151 0.68 LMNA (0.47) L3MBTL1PKMMAPTALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — 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-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 THRB 3577/4885POLB 2677/4885L3MBTL1 2541/4885

“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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