SCHEMBL2583858

SCHEMBL2583858

CC[C@H](c1ccccc1)N(C)C(=O)c1coc(C2CCN(C(=O)Cc3cc(C)ccc3C)CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
TP53 P04637 3/20 0.36
LMNA P02545 3/20 0.36
OPRK1 P41145 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
P2RX3 P56373 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
TACR1 P25103 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SOS1 Q07889 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32

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
SCHEMBL2581288 0.84 FAAH (0.39) TP53LMNAOPRK1P2RX3TACR1
SCHEMBL2581638 0.82 MAPT (0.40) MAPTTP53LMNAIRAK4ALOX15
SCHEMBL15049876 0.80 CCR3 (0.35) MAPTLMNATACR1
SCHEMBL2580999 0.80 KDM4E (0.43) LMNAIRAK4TSHRPOLB
SCHEMBL2575554 0.78 ALDH1A1 (0.40) MAPTTP53LMNAIRAK4POLB
SCHEMBL2584884 0.78 ALDH1A1 (0.39) MAPTTP53LMNATSHRPOLB
SCHEMBL2584190 0.70 CCR3 (0.40) MAPTTP53LMNAOPRK1TSHR
SCHEMBL1228585 0.66 FAAH (0.42) TP53LMNAP2RX3POLBNPSR1
SCHEMBL2581184 0.66 L3MBTL1 (0.56) MAPTLMNATSHRPOLB
SCHEMBL14143448 0.66 CNR1 (0.38) OPRK1ALOX15TSHRNPSR1

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 MAPT 3940/4885TP53 3715/4885LMNA 2084/4885

“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.