SCHEMBL2584884

SCHEMBL2584884

Cc1ccc(C)c(CC(=O)N2CCC(c3nc(C(=O)N(C)[C@@H]4CCCc5ccccc54)co3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 2/20 0.39
XBP1 P17861 1/20 0.39
SPR P35270 2/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
P4HB P07237 1/20 0.37
RAB9A P51151 1/20 0.36
LMNA P02545 3/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD11B1 P28845 1/20 0.34
EPHX2 P34913 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
SCHEMBL778489 0.85 ALDH1A1 (0.39) ALDH1A1TP53POLBHTTXBP1
SCHEMBL14614640 0.85 ALDH1A1 (0.45) ALDH1A1HTTXBP1SPRMEN1
SCHEMBL4623160 0.81 GAA (0.40) ALDH1A1POLBHTTXBP1SPR
SCHEMBL775490 0.81 GAA (0.40) ALDH1A1POLBHTTXBP1SPR
SCHEMBL2579967 0.79 NAMPT (0.42) ALDH1A1HTTXBP1SPRMEN1
SCHEMBL2581638 0.79 MAPT (0.40) TP53POLBHTTLMNATSHR
SCHEMBL2583858 0.78 MAPT (0.36) TP53POLBLMNATSHRMAPT
SCHEMBL2581301 0.77 KMT2A (0.39) ALDH1A1HTTXBP1SPRMEN1
SCHEMBL2575554 0.76 ALDH1A1 (0.40) ALDH1A1TP53POLBHTTRAB9A
SCHEMBL15049603 0.72 ALDH1A1 (0.39) ALDH1A1HTTXBP1SPRMEN1

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-8586611-B2 Fungicidal carboxamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-11-19 US disclosed
EP-1948649-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2013-06-26 EP disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 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-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 ALDH1A1 649/4885TP53 3715/4885POLB 3820/4885

“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.