SCHEMBL18620244

SCHEMBL18620244

Nc1cc(Cc2cccc(C(=O)NCCc3ccccc3)c2)c(/N=N/c2ccc(Cl)cc2)c(N)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 2/20 0.57
▸ SNCA P37840 5/20 0.46
▸ LMNA P02545 1/20 0.46
▸ PARP1 P09874 1/20 0.45
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ MCHR1 Q99705 1/20 0.42
▸ ASIC3 Q9UHC3 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL20515407 1.00 MPO (0.57) MPOSNCALMNAPARP1HDAC3
SCHEMBL20515399 0.91 MPO (0.57) MPOHDAC2HDAC8HDAC6NPC1
SCHEMBL18618777 0.91 MPO (0.57) MPOHDAC2HDAC8HDAC6NPC1
SCHEMBL18586035 0.86 MAPT (0.45) MPONPC1RAB9AKMT2AMAPT
SCHEMBL18586036 0.86 MAPT (0.45) MPONPC1RAB9AKMT2AMAPT
SCHEMBL20515403 0.82 MPO (0.54) MPONPC1RAB9AMEN1KMT2A
SCHEMBL18620547 0.82 MPO (0.54) MPONPC1RAB9AMEN1KMT2A
SCHEMBL18586997 0.82 MPO (0.68) MPOPARP1HDAC3HDAC4HDAC1
SCHEMBL20672109 0.81 MAPT (0.44) MPOLMNANPC1RAB9AKCNH2
SCHEMBL20515396 0.80 MPO (0.47) MPOLMNANPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180282320-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2018-10-04 — — US disclosed
WO-2017040451-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 — — 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 (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-20180282320-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 MPO 2/4885SNCA 4562/4885LMNA 4544/4885

“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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