SCHEMBL16906037

SCHEMBL16906037

CCO/C=C/C(=O)Nc1ccc(Br)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.48
▸ EGFR P00533 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ KMT2A Q03164 7/20 0.45
▸ MEN1 O00255 6/20 0.45
▸ MAPT P10636 6/20 0.45
▸ LMNA P02545 3/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TRPV1 Q8NER1 2/20 0.44
▸ STAT1 P42224 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ TP53 P04637 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL27030120 0.90 ALDH1A1 (0.48) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL30355109 0.90 ALDH1A1 (0.48) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL23842642 0.85 GRM4 (0.48) GRM4ALDH1A1HTTKMT2AMEN1
SCHEMBL3571028 0.84 RAB9A (0.58) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL3571026 0.84 RAB9A (0.58) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL31203256 0.84 KMT2A (0.46) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL10288042 0.82 ALDH1A1 (0.43) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL358951 0.81 ALDH1A1 (0.53) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL358952 0.81 ALDH1A1 (0.53) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL3973119 0.79 RAB9A (0.53) EGFRALDH1A1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170291875-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS UCL BUSINESS PLC (GB) 2017-10-12 — — US disclosed
US-20170291875-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS UCL BUSINESS PLC (GB) 2017-10-12 — — US disclosed
WO-2017001733-A1 BICYCLIC HETEROCYCLE DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2017-01-05 — — WO disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US disclosed
WO-2016034512-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS UCL BUSINESS PLC (GB) 2016-03-10 — — WO disclosed
WO-2015104653-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 — — WO 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-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 GRM4 4748/4885EGFR 1946/4885ALDH1A1 2949/4885
US-20170291875-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS BRD4, BRPF3, BRD3 GRM4 3492/4885EGFR 4035/4885ALDH1A1 3256/4885

“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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