SCHEMBL1610302

SCHEMBL1610302

COC(=O)c1nc(C2CC2)nc(N(C)c2ccccc2OC)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 5/20 0.38
PDE4D Q08499 2/20 0.35
PDE4A P27815 1/20 0.35
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33

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
SCHEMBL1609469 0.91 PDE4D (0.36) NTSR1PDE4DRAB9ANPC1SMN1; SMN2
SCHEMBL1608874 0.89 SLC6A3 (0.39) PDE4APOLBSMN1; SMN2BRD4CREBBP
SCHEMBL1610066 0.88 PDE4D (0.38) NTSR1PDE4DPDE4ATUBB4ATUBB
SCHEMBL1609761 0.88 RXRA (0.36) PDE4DPDE4APOLBSMN1; SMN2BRD4
SCHEMBL1609071 0.87 SLC6A3 (0.33) NTSR1PDE4DPDE4APOLBSMN1; SMN2
SCHEMBL1609765 0.87 HTT (0.41) RAB9ANPC1SMN1; SMN2TUBB4ATUBB
SCHEMBL1609555 0.85 ALDH1A1 (0.36) POLBTP53SMN1; SMN2TSHRMAPK1
SCHEMBL1609778 0.85 RBP4 (0.37) POLBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1610229 0.83 SLC6A3 (0.34) PDE4DPDE4APOLBTP53SMN1; SMN2
SCHEMBL1610185 0.83 ALDH1A1 (0.41) NTSR1RAB9APOLBNPC1SMN1; SMN2

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-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 NTSR1 1628/4885PDE4D 2126/4885PDE4A 1115/4885

“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.