SCHEMBL2587221

SCHEMBL2587221

C=CC[N][C@H](C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.42
NOS2 P35228 1/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP2C19 P33261 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
LMNA P02545 2/20 0.38
ATM Q13315 1/20 0.37
KDM4E B2RXH2 2/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2C P18825 1/20 0.36

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
SCHEMBL488830 0.76 CYP2C19 (0.39) ALDH1A1CYP2C19TAAR1KDM4EUSP2
SCHEMBL4960730 0.76 TSHR (0.39) ALDH1A1CYP2C19TAAR1ATMKDM4E
SCHEMBL11619506 0.74 MIF (0.48) MIFNOS2ALDH1A1TAAR1LMNA
SCHEMBL2402298 0.74 MIF (0.48) MIFNOS2ALDH1A1TAAR1LMNA
SCHEMBL9145884 0.72 MIF (0.47) MIFNOS2ALDH1A1TAAR1LMNA
SCHEMBL5467343 0.71 TAAR1 (0.50) MIFNOS2TAAR1LMNAKDM4E
SCHEMBL2400644 0.71 MIF (0.45) MIFNOS2ALDH1A1TAAR1LMNA
SCHEMBL7871906 0.71 MIF (0.45) MIFNOS2ALDH1A1TAAR1LMNA
SCHEMBL3934527 0.71 MIF (0.45) MIFNOS2ALDH1A1TAAR1LMNA
SCHEMBL19267374 0.69 MIF (0.52) MIFNOS2ALDH1A1TAAR1LMNA

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 MIF 3529/4885NOS2 935/4885ALDH1A1 649/4885

“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.