SCHEMBL229858

SCHEMBL229858

COC(=O)c1cc(I)cc(C(=O)c2ccc(NCc3ccc(Cl)cc3)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
VNN1 O95497 4/20 0.46
P4HTM Q9NXG6 1/20 0.44
PIK3CA P42336 1/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
HDAC1 Q13547 2/20 0.41
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HIF1A Q16665 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CNR1 P21554 1/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 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
SCHEMBL234584 0.83 ATM (0.39) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL232291 0.82 MAPT (0.40) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL236386 0.81 P4HTM (0.48) MAPTVNN1P4HTMCA1CA2
SCHEMBL234582 0.78 PLA2G1B (0.37) MAPTMEN1KMT2AP4HTMNPC1
SCHEMBL236562 0.78 LTC4S (0.49) LMNAVNN1CA1CA2
SCHEMBL27832535 0.77 LTC4S (0.41)
SCHEMBL234583 0.74 LTC4S (0.60)
SCHEMBL11240016 0.73 CA1 (0.75) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL29245006 0.73 CA1 (0.75) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL11386702 0.72 TSHR (0.51) MEN1KMT2AALDH1A1P4HTMCA1

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 MAPT 3714/4885MEN1 4027/4885KMT2A 3835/4885
US-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R MAPT 4117/4885MEN1 4355/4885KMT2A 4283/4885

“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.