SCHEMBL15550989

SCHEMBL15550989

CCCCN(C(N)=O)c1nc2ccccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
BCHE P06276 2/20 0.49
ACHE P22303 1/20 0.49
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SPHK2 Q9NRA0 1/20 0.46
SPHK1 Q9NYA1 1/20 0.46
ELANE P08246 1/20 0.44
TRPC3 Q13507 1/20 0.44
TRPC4 Q9UBN4 1/20 0.44
TRPC5 Q9UL62 1/20 0.44
DAGLA Q9Y4D2 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL11635003 0.95 SPHK2 (0.50) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL27396645 0.85 ALDH1A1 (0.43) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL9275387 0.84 ALDH1A1 (0.50) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL11782333 0.84 ALDH1A1 (0.50) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL11238660 0.80 ALDH1A1 (0.44) LMNACYP1A2CYP2D6CYP2C19BCHE
Hydrochloric Acid SCHEMBL28115256 0.78 LMNA (0.56) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL9162960 0.76 LMNA (0.60) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL16446115 0.76 LMNA (0.51) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL11824261 0.75 POLB (0.55) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL10925258 0.75 BCHE (0.48) LMNACYP1A2CYP2D6CYP2C19BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550737-B2 TNF -α modulating benzimidazoles UCB BIOPHARMA SPRL (BE) 2017-01-24 US disclosed
US-20150152065-A1 TNF -Alpha Modulating Benzimidazoles UCB BIOPHARMA SPRL (BE) 2015-06-04 US disclosed
EP-2858983-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB Biopharma SPRL (BE) 2015-04-15 EP disclosed
WO-2013186229-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB PHARMA S.A. (BE) 2013-12-19 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 (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-20150152065-A1 TNF -Alpha Modulating Benzimidazoles TNF, TNFRSF1A, NFKBIA LMNA 3064/4885CYP1A2 1933/4885CYP2D6 2104/4885

“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.