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.

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