SCHEMBL1095274

SCHEMBL1095274

N#CC(CO)c1cc(OC(F)F)ccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.34
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
HTT P42858 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 4/20 0.34
NPSR1 Q6W5P4 3/20 0.34
PPARG P37231 3/20 0.34
PPARA Q07869 3/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34

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
SCHEMBL1095442 0.82 SMN1; SMN2 (0.35) LMNAKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL1096567 0.80 FFAR4 (0.33) LMNAKMT2AMEN1SMN1; SMN2RAB9A
Benzene SCHEMBL1095513 0.80 PPARG (0.36) LMNAKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL1095779 0.77 LMNA (0.37) LMNAKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL1095460 0.77 ALDH1A1 (0.36) LMNAKMT2AMEN1HTTTP53
SCHEMBL1095510 0.76 PPARG (0.41) LMNAKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL1096665 0.74 KMT2A (0.38) LMNAKMT2AMEN1HTTTSHR
SCHEMBL17125208 0.72 THRB (0.39) LMNAKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL1095109 0.70 SLC6A2 (0.36) LMNAKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL2939017 0.70 KCNJ5 (0.39) LMNAKMT2AMEN1SMN1; SMN2RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2148854-B1 ESTERS OF 2-PHENYLALKANENITRILES AND ANTIFUNGAL COMPOSITIONS CONTAINING THEM STOUTAMIRE DONALD WESLEY (US) 2013-02-20 EP disclosed
US-8153688-B2 Esters of 2-phenylalkanenitriles and antifungal compositions containing them MCS Laboratories, Inc. (US) 2012-04-10 US disclosed
EP-2148854-A2 ESTERS OF 2-PHENYLALKANENITRILES AND ANTIFUNGAL COMPOSITIONS CONTAINING THEM Stoutamire, Donald Wesley (US) 2010-02-03 EP disclosed
US-20100022640-A1 ESTERS OF 2-PHENYLALKANENITRILES AND ANTIFUNGAL COMPOSITIONS CONTAINING THEM MCS LABORATORIES INC. 2010-01-28 US disclosed
US-7622504-B2 Esters of 2-phenylalkanenitriles and antifungal compositions containing them MCS Laboratories, Inc. (US) 2009-11-24 US disclosed
WO-2008088538-A2 ESTERS OF 2-PHENYLALKANENITRILES AND ANTIFUNGAL COMPOSITIONS CONTAINING THEM STOUTAMIRE DONALD WESLEY (US) 2008-07-24 WO disclosed
US-20080153905-A1 Esters of 2-phenylalkanenitriles and antifungal compositions containing them MCS LABORATORIES INC. 2008-06-26 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 (2 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-20100022640-A1 ESTERS OF 2-PHENYLALKANENITRILES AND ANTIFUNGAL COMPOSITIONS CONTAINING THEM CYP51A1, ERG28, AKR7A2 LMNA 3014/4885KMT2A 2637/4885MEN1 2654/4885
US-20080153905-A1 Esters of 2-phenylalkanenitriles and antifungal compositions containing them CYP51A1, ERG28, AKR7A2 LMNA 3014/4885KMT2A 2637/4885MEN1 2654/4885

“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.