SCHEMBL236386

SCHEMBL236386

COC(=O)c1cc(C(=O)c2ccc(NCc3ccc(Cl)cc3)cn2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.48
VNN1 O95497 9/20 0.47
LTC4S Q16873 3/20 0.43
MAPT P10636 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
HDAC1 Q13547 1/20 0.42
PPARA Q07869 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CNR1 P21554 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
SCHEMBL236562 0.87 LTC4S (0.49) VNN1LTC4SCA1CA2
SCHEMBL238194 0.86 LTC4S (0.47) P4HTMLTC4SMAPT
SCHEMBL560557 0.86 VNN1 (0.43) VNN1MAPTCA1CA2HDAC1
SCHEMBL240031 0.83 LTC4S (0.42) LTC4S
SCHEMBL27830985 0.81 P4HTM (0.47) P4HTMVNN1LTC4SHDAC1
SCHEMBL229858 0.81 MAPT (0.47) P4HTMVNN1MAPTCA1CA2
SCHEMBL236387 0.78 LTC4S (0.66) LTC4S
SCHEMBL240030 0.78 LTC4S (0.42) P4HTMLTC4S
SCHEMBL239257 0.78 P4HTM (0.47) P4HTMVNN1LTC4SPPARA
SCHEMBL238390 0.78 MAPT (0.41) LTC4SMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2429994-A1 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS Biolipox AB (SE) 2012-03-21 EP disclosed
US-20120035217-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-02-09 US disclosed
EP-2406223-A2 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS Biolipox AB (SE) 2012-01-18 EP disclosed
US-20120004244-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-2010103297-A2 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS BIOLIPOX AB (SE) 2010-09-16 WO disclosed
WO-2010103283-A1 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 (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-20120035217-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R P4HTM 578/4885VNN1 492/4885LTC4S 1/4885
US-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R P4HTM 403/4885VNN1 479/4885LTC4S 1/4885
US-20110319431-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R P4HTM 745/4885VNN1 502/4885LTC4S 1/4885

“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.