SCHEMBL560557

SCHEMBL560557

COC(=O)c1cc(C(=O)c2cc(NCc3ccc(Cl)cc3)ccn2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 6/20 0.43
NTRK1 P04629 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CNR1 P21554 1/20 0.40
HDAC1 Q13547 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PPARA Q07869 2/20 0.39
DRD2 P14416 1/20 0.39
TBXA2R P21731 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ANO1 Q5XXA6 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
SCD O00767 1/20 0.38

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
SCHEMBL236386 0.86 P4HTM (0.48) VNN1NPC1RAB9ACNR1HDAC1
SCHEMBL560558 0.78 LTC4S (0.49)
SCHEMBL238194 0.74 LTC4S (0.47) MEN1MAPTKMT2A
SCHEMBL236562 0.73 LTC4S (0.49) VNN1CA1CA2LMNA
SCHEMBL559181 0.72 MAPT (0.47) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL16211677 0.71 MAPT (0.66) NPC1RAB9AHDAC1CA1CA2
SCHEMBL2186694 0.71 EGFR (0.50) NPC1RAB9AHDAC1CA1CA2
SCHEMBL236387 0.70 LTC4S (0.66)
SCHEMBL11240016 0.70 CA1 (0.75) NPC1RAB9AHDAC1CA1CA2
SCHEMBL29245006 0.70 CA1 (0.75) NPC1RAB9AHDAC1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035217-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-02-09 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 (1 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 VNN1 492/4885NTRK1 4077/4885NPC1 2951/4885

“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.