SCHEMBL1096567

SCHEMBL1096567

N#CC(COC=O)c1cc(OC(F)F)ccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.33
DRD1 P21728 2/20 0.33
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
RAB9A P51151 3/20 0.32
HTT P42858 2/20 0.32
NPC1 O15118 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 3/20 0.31
MAPT P10636 3/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
SENP8 Q96LD8 1/20 0.31

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 0.81 SMN1; SMN2 (0.35) FFAR4LMNASMN1; SMN2MEN1KMT2A
SCHEMBL1096024 0.81 LMNA (0.34) LMNAMAPTPOLBTDP1GAA
SCHEMBL1095274 0.80 LMNA (0.34) FFAR4LMNASMN1; SMN2MEN1KMT2A
Benzene SCHEMBL1095513 0.80 PPARG (0.36) FFAR4LMNASMN1; SMN2MEN1KMT2A
SCHEMBL1095510 0.76 PPARG (0.41) LMNASMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL1094811 0.76 CCR1 (0.39) MEN1KMT2A
SCHEMBL1095779 0.69 LMNA (0.37) FFAR4LMNASMN1; SMN2MEN1KMT2A
SCHEMBL1095268 0.68 ALDH1A1 (0.39) LMNASMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL17125208 0.67 THRB (0.39) LMNASMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL1095109 0.66 SLC6A2 (0.36) FFAR4DRD1LMNASMN1; SMN2MEN1

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 FFAR4 66/4885DRD1 2591/4885LMNA 3014/4885
US-20080153905-A1 Esters of 2-phenylalkanenitriles and antifungal compositions containing them CYP51A1, ERG28, AKR7A2 FFAR4 66/4885DRD1 2591/4885LMNA 3014/4885

“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.