SCHEMBL2216396

SCHEMBL2216396

O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC(NCc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 4/20 0.64
RHOA P61586 2/20 0.47
CARM1 Q86X55 2/20 0.47
PRMT6 Q96LA8 2/20 0.47
CCR2 P41597 1/20 0.46
POLB P06746 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
HSD11B1 P28845 2/20 0.42
DRD4 P21917 1/20 0.42
CCR1 P32246 1/20 0.42
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42

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
SCHEMBL2216389 1.00 TEAD1 (0.64) TEAD1RHOACARM1PRMT6CCR2
SCHEMBL2218481 0.86 BCHE (0.57) TEAD1POLBBCHEACHEBACE1
SCHEMBL2218474 0.86 BCHE (0.57) TEAD1POLBBCHEACHEBACE1
SCHEMBL2217669 0.86 MGLL (0.48) TEAD1CARM1PRMT6CCR2POLB
SCHEMBL2217675 0.86 MGLL (0.48) TEAD1CARM1PRMT6CCR2POLB
SCHEMBL27965184 0.82 TEAD1 (0.80) TEAD1CARM1PRMT6BCHEACHE
SCHEMBL1578405 0.81 MGLL (0.51) TEAD1RHOACARM1PRMT6BCHE
SCHEMBL1578407 0.81 MGLL (0.51) TEAD1RHOACARM1PRMT6BCHE
SCHEMBL15693795 0.81 RHOA (0.45) TEAD1RHOACCR2MEN1KMT2A
SCHEMBL2214357 0.81 BCHE (0.45) POLBBCHEACHEBACE1MEN1

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-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
EP-2730576-A2 Anti-infective compounds Institut Pasteur Korea (KR) 2014-05-14 EP disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 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-20110178077-A1 Anti-infective compounds RABGGTB, ELANE, SERPINB1 TEAD1 664/4885RHOA 2513/4885CARM1 4411/4885

“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.