SCHEMBL229900

SCHEMBL229900

COC(=O)c1cc(Br)cc(C(=O)c2ccc(N(C)c3ccc(Cl)cc3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.45
TUBB P07437 2/20 0.45
TUBA3C P0DPH7 2/20 0.45
TUBA1B P68363 2/20 0.45
TUBA4A P68366 2/20 0.45
TUBB4B P68371 2/20 0.45
TUBB3 Q13509 2/20 0.45
TUBB2A Q13885 2/20 0.45
TUBB8 Q3ZCM7 2/20 0.45
TUBA3E Q6PEY2 2/20 0.45
TUBA1A Q71U36 2/20 0.45
TUBA1C Q9BQE3 2/20 0.45
TUBB6 Q9BUF5 2/20 0.45
TUBB2B Q9BVA1 2/20 0.45
TUBB1 Q9H4B7 2/20 0.45
HPGD P15428 3/20 0.43
NOTUM Q6P988 3/20 0.42
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LTC4S Q16873 2/20 0.41

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
SCHEMBL232400 0.91 HPGD (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL230032 0.87 MAPT (0.44) HPGDNOTUMMAPTSMN1; SMN2LTC4S
SCHEMBL232232 0.86 LMNA (0.50) HPGDMAPTSMN1; SMN2LTC4SALDH1A1
SCHEMBL232804 0.85 LTC4S (0.54) LTC4S
SCHEMBL232931 0.84 GPBAR1 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL233571 0.83 MEN1 (0.55) HPGDMAPTSMN1; SMN2LTC4SALDH1A1
SCHEMBL232108 0.82 MAPT (0.44) HPGDMAPTSMN1; SMN2LTC4SALDH1A1
SCHEMBL231253 0.82 LMNA (0.46) HPGDMAPTSMN1; SMN2LTC4SALDH1A1
SCHEMBL231986 0.81 RAB9A (0.47) MAPTALDH1A1LMNAL3MBTL1MEN1
SCHEMBL232161 0.79 HPGD (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
EP-2406220-A1 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS Biolipox AB (SE) 2012-01-18 EP disclosed
EP-2406223-A2 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS Biolipox AB (SE) 2012-01-18 EP disclosed
US-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 US disclosed
US-20110319431-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2011-12-29 US disclosed
WO-2010103279-A1 BIS AROMATIC COMPOUNDS FOR USE AS LCT4 SYNTHASE INHIBITORS BIOLIPOX AB (SE) 2010-09-16 WO disclosed
WO-2010103297-A2 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS BIOLIPOX AB (SE) 2010-09-16 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-20110319431-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R TUBB4A 1057/4885TUBB 2274/4885TUBA3C 2948/4885
US-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R TUBB4A 1670/4885TUBB 2742/4885TUBA3C 3385/4885

“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.