SCHEMBL426733

SCHEMBL426733

COc1cc(C(=O)c2cc3cc(Cl)ccc3[nH]2)cc(OC)c1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
FLT3 P36888 2/20 0.64
PDGFRB P09619 3/20 0.60
PDGFRA P16234 2/20 0.60
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54
TUBA4A P68366 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54
TUBB2A Q13885 1/20 0.54
TUBB8 Q3ZCM7 1/20 0.54
TUBA3E Q6PEY2 1/20 0.54
TUBA1A Q71U36 1/20 0.54
TUBA1C Q9BQE3 1/20 0.54
TUBB6 Q9BUF5 1/20 0.54

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
SCHEMBL429717 0.90 PDGFRB (0.60) MEN1KMT2ANPC1RAB9AFLT3
SCHEMBL7065750 0.86 FLT3 (0.64) MEN1KMT2ARAB9AFLT3PDGFRB
SCHEMBL426498 0.86 PDGFRB (0.72) MEN1KMT2AFLT3PDGFRBPDGFRA
SCHEMBL31705824 0.85 FLT3 (0.64) MEN1KMT2AFLT3PDGFRBPDGFRA
SCHEMBL428047 0.85 FLT3 (0.64) MEN1KMT2AFLT3PDGFRBPDGFRA
SCHEMBL426783 0.83 PDGFRB (0.74) MEN1KMT2AFLT3PDGFRBPDGFRA
SCHEMBL10176422 0.82 PDGFRB (0.58) MEN1KMT2APDGFRBPDGFRATUBB4A
SCHEMBL31706992 0.80 PDGFRB (0.50) PDGFRBPDGFRATUBB4ATUBBTUBA3C
SCHEMBL6168411 0.79 MEN1 (0.82) MEN1KMT2ANPC1RAB9AFLT3
SCHEMBL426735 0.78 FLT3 (0.60) MEN1KMT2AFLT3PDGFRBPDGFRA

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-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 US disclosed
US-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 US disclosed
US-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 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-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR TUBB, TUBB3, TUBB1 MEN1 1042/4885KMT2A 3095/4885NPC1 3214/4885

“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.