SCHEMBL757757

SCHEMBL757757

N=C(N)NCCCC(C(=O)O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.39
FOLH1 Q04609 2/20 0.36
TPSAB1 Q15661 1/20 0.36
EPHX2 P34913 2/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
BCAT2 O15382 1/20 0.35
CNR1 P21554 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR2 P34972 1/20 0.34
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
F10 P00742 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
SCHEMBL757758 1.00 C3AR1 (0.39) C3AR1FOLH1TPSAB1EPHX2MTNR1A
SCHEMBL16318658 0.84 MTNR1A (0.37) C3AR1FOLH1EPHX2MTNR1AMTNR1B
SCHEMBL27492704 0.81 ALDH1A1 (0.37) C3AR1FOLH1ALDH1A1LMNAKMT2A
SCHEMBL7133804 0.81 EPHX2 (0.36) C3AR1FOLH1TPSAB1EPHX2NPC1
SCHEMBL7133816 0.81 EPHX2 (0.36) C3AR1FOLH1TPSAB1EPHX2NPC1
SCHEMBL9802532 0.80 CNR1 (0.36) C3AR1FOLH1CNR1CNR2
SCHEMBL6570846 0.80 EPHX2 (0.36) C3AR1FOLH1TPSAB1EPHX2NPC1
SCHEMBL11125233 0.80 KMT2A (0.40) FOLH1ALDH1A1LMNAKMT2A
SCHEMBL9802526 0.80 CNR1 (0.36) C3AR1FOLH1CNR1CNR2
SCHEMBL27576022 0.80 CTSK (0.39) FOLH1TPSAB1EPHX2ALDH1A1LMNA

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
US-20150259378-A1 ALLERGOIDS DERIVED FROM ALLERGENES LOFARMA S.P.A. (IT) 2015-09-17 US disclosed
US-20120114699-A1 Allergoids Derived from Allergens LOFARMA S.P.A. (IT) 2012-05-10 US disclosed
EP-2320946-B1 ALLERGOIDS DERIVED FROM ALLERGENES LOFARMA SPA (IT) 2012-03-21 EP disclosed
EP-2320946-A1 ALLERGOIDS DERIVED FROM ALLERGENES Lofarma S.p.A. (IT) 2011-05-18 EP disclosed
WO-2010032228-A1 ALLERGOIDS DERIVED FROM ALLERGENES LOFARMA S.P.A. (IT) 2010-03-25 WO 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-20150259378-A1 ALLERGOIDS DERIVED FROM ALLERGENES CD2, HRH4, HRH1 C3AR1 366/4885FOLH1 1566/4885TPSAB1 206/4885
US-20120114699-A1 Allergoids Derived from Allergens HRH4, HRH3, HRH1 C3AR1 5/4885FOLH1 4378/4885TPSAB1 413/4885

“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.