SCHEMBL23270210

SCHEMBL23270210

Nc1ccc(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.52
NPFFR2 Q9Y5X5 1/20 0.49
KDR P35968 1/20 0.47
SRD5A2 P31213 1/20 0.45
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
PDK1 Q15118 1/20 0.43
BRAF P15056 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43

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
SCHEMBL10656533 0.90 KDR (0.56) CHEK2NPFFR2KDRSRD5A2HTR3E
SCHEMBL23388266 0.85 VCAM1 (0.53) CHEK2NPFFR2KDRSRD5A2PDK1
SCHEMBL5566999 0.85 NPFFR2 (0.45) CHEK2NPFFR2KDRSRD5A2HTR3E
SCHEMBL7190381 0.83 PTGS1 (0.41) CHEK2SRD5A2CA1CA2CA9
SCHEMBL8175719 0.82 KDR (0.49) CHEK2NPFFR2KDRSRD5A2HTR3E
SCHEMBL12583969 0.81 PTGS1 (0.42) SRD5A2CA1CA2CA9
SCHEMBL23388234 0.80 TRPV1 (0.47) CHEK2NPFFR2KDRBRAFHDAC3
SCHEMBL1086197 0.80 NPFFR2 (0.58) CHEK2NPFFR2KDRHTR3EHTR3B
SCHEMBL31144967 0.80 NPFFR2 (0.58) CHEK2NPFFR2KDRHTR3EHTR3B
Hydrochloric Acid SCHEMBL30536926 0.78 NPFFR2 (0.56) CHEK2NPFFR2KDRHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210290597-A1 METHOD OF TREATING A CONDITION ASSOCIATED WITH NEURODEGENERATION USING INHIBITORS OF OAT3 NEUROPORE THERAPIES, INC. (US) 2021-09-23 US disclosed
US-20210290597-A1 METHOD OF TREATING A CONDITION ASSOCIATED WITH NEURODEGENERATION USING INHIBITORS OF OAT3 NEUROPORE THERAPIES, INC. (US) 2021-09-23 US disclosed
EP-3810133-A1 METHOD OF TREATING A CONDITION ASSOCIATED WITH NEURODEGENERATION USING INHIBITORS OF OAT3 Neuropore Therapies, Inc. (US) 2021-04-28 EP 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-20210290597-A1 METHOD OF TREATING A CONDITION ASSOCIATED WITH NEURODEGENERATION USING INHIBITORS OF OAT3 OAT, CLN6, SLC2A3 CHEK2 4713/4885NPFFR2 1762/4885KDR 4532/4885

“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.