SCHEMBL4529548

SCHEMBL4529548

CCOc1ccc2ccccc2c1C(=O)C(Br)Br

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ RAB9A P51151 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ CXCR5 P32302 1/20 0.51
▸ TP53 P04637 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ AVPR1A P37288 2/20 0.48
▸ AVPR1B P47901 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ HCRTR1 O43613 5/20 0.46
▸ HCRTR2 O43614 5/20 0.46
▸ ALOX5 P09917 1/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL10137787 0.87 ALDH1A1 (0.56) ALDH1A1RAB9ALMNATSHRHSD17B10
SCHEMBL11671935 0.84 ALDH1A1 (0.59) ALDH1A1RAB9ALMNATSHRHSD17B10
SCHEMBL30393029 0.82 ALDH1A1 (0.61) ALDH1A1RAB9ALMNATSHRHSD17B10
SCHEMBL4539589 0.82 ALDH1A1 (0.60) ALDH1A1RAB9ALMNATSHRHSD17B10
SCHEMBL503962 0.82 ALDH1A1 (0.61) ALDH1A1RAB9ALMNATSHRHSD17B10
SCHEMBL7694288 0.81 ALDH1A1 (0.51) ALDH1A1RAB9ALMNATSHRHSD17B10
SCHEMBL4524473 0.81 ALDH1A1 (0.56) ALDH1A1RAB9ALMNATSHRHSD17B10
Hydrochloric Acid SCHEMBL1037379 0.81 ALDH1A1 (0.60) ALDH1A1RAB9ALMNATSHRHSD17B10
SCHEMBL627877 0.81 ALDH1A1 (0.59) ALDH1A1RAB9ALMNATSHRHSD17B10
SCHEMBL13447246 0.81 ALDH1A1 (0.59) ALDH1A1RAB9ALMNATSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 — — US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 — — US disclosed
EP-1474140-B1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2007-11-21 — — EP disclosed
US-20050176791-A1 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2005-08-11 — — US disclosed
US-20040010022-A1 5-HT2B receptor antagonists ASTERAND, INC. 2004-01-15 — — 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 (3 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-20090018150-A1 5-Ht2b Receptor Antagonists HTR2B, HTR1B, HTR3B ALDH1A1 1363/4885RAB9A 1024/4885LMNA 3744/4885
US-20050176791-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR3B ALDH1A1 2700/4885RAB9A 1696/4885LMNA 4134/4885
US-20040010022-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR2C ALDH1A1 974/4885RAB9A 1771/4885LMNA 3528/4885

“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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