SCHEMBL2939017

SCHEMBL2939017

N#CCc1cc(OC(F)F)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
LMNA P02545 3/20 0.37
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 4/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
NPSR1 Q6W5P4 3/20 0.34
PPARG P37231 3/20 0.34
PPARA Q07869 3/20 0.34
RAB9A P51151 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

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
SCHEMBL10564023 0.81 CHRM5 (0.40) SMN1; SMN2TSHRMAPTMEN1KMT2A
SCHEMBL23841500 0.78 KDM4E (0.49) KCNJ5KCNJ3SMN1; SMN2KDM4EGAA
SCHEMBL1094566 0.78 KCNJ5 (0.42) KCNJ5KCNJ3LMNAHTTSMN1; SMN2
SCHEMBL8747259 0.78 SLC6A4 (0.47) GAAMAPTMEN1KMT2ATDP1
SCHEMBL334710 0.73 L3MBTL1 (0.38) KDM4EGAAL3MBTL1SLC6A4HTR2A
SCHEMBL1095779 0.73 LMNA (0.37) KCNJ5KCNJ3LMNAHTTSMN1; SMN2
SCHEMBL349208 0.72 LMNA (0.42) LMNAHTTSMN1; SMN2TSHRGAA
SCHEMBL30192730 0.72 KCNH2 (0.39) LMNAKDM4EL3MBTL1MAPTMEN1
SCHEMBL5642630 0.72 KCNH2 (0.39) LMNAKDM4EL3MBTL1MAPTMEN1
SCHEMBL26127201 0.71 AR (0.49) KDM4EMEN1KMT2AALDH1A1HPGD

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 5 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
EP-2148854-A2 ESTERS OF 2-PHENYLALKANENITRILES AND ANTIFUNGAL COMPOSITIONS CONTAINING THEM Stoutamire, Donald Wesley (US) 2010-02-03 EP 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 (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-20080153905-A1 Esters of 2-phenylalkanenitriles and antifungal compositions containing them CYP51A1, ERG28, AKR7A2 KCNJ5 3613/4885KCNJ3 2909/4885LMNA 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.