SCHEMBL6818446

SCHEMBL6818446

NC(=O)C(=O)c1cn(-c2ccncc2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.49
NR4A2 P43354 1/20 0.49
SCN9A Q15858 1/20 0.48
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
RORC P51449 4/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CAPN1 P07384 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 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
SCHEMBL15421267 0.84 NR4A2 (0.56) HTR3ANR4A2CA12CA1CA2
SCHEMBL15444634 0.82 NR4A2 (0.55) HTR3ANR4A2CA12CA1CA2
SCHEMBL6822481 0.81 SCN9A (0.47) HTR3ANR4A2SCN9ACA12CA1
SCHEMBL23812575 0.79 KMT2A (0.53) HTR3ANR4A2CNR1CNR2
SCHEMBL15440770 0.79 HTR3A (0.54) HTR3ANR4A2CA12CA1CA2
SCHEMBL15420904 0.79 NR4A2 (0.79) HTR3ANR4A2
SCHEMBL27685923 0.77 HTR3A (0.42) HTR3ANR4A2SCN9ACA12CA1
SCHEMBL2079787 0.76 SCN9A (0.44) NR4A2SCN9ACA12CA1CA2
SCHEMBL4002617 0.75 NR4A2 (0.65) HTR3ANR4A2SCN9ACA12CA1
SCHEMBL579555 0.75 NR4A2 (0.65) HTR3ANR4A2SCN9ACA12CA1

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-20040266760-A1 5-hydroxyindoles with N-oxide groups and the use thereof as therapeutic agents ELBION AG (DE) 2004-12-30 US claimed
US-20040242643-A1 4-,6- or 7-hydroxyindoles with N-oxide groups and the use thereof as therapeutic agents ELBION AG (DE) 2004-12-02 US claimed
EP-2363128-B1 Indole modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2016-02-17 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 (2 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-20040242643-A1 4-,6- or 7-hydroxyindoles with N-oxide groups and the use thereof as therapeutic agents PDE4A, HNMT, PDE4B HTR3A 40/4885NR4A2 772/4885SCN9A 3133/4885
US-20040266760-A1 5-hydroxyindoles with N-oxide groups and the use thereof as therapeutic agents HTR5A, HTR4, HNMT HTR3A 30/4885NR4A2 1311/4885SCN9A 3531/4885

“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.