SCHEMBL4537101

SCHEMBL4537101

N=C(N)C1CCN(C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.50
CPN1 P15169 1/20 0.40
CPB2 Q96IY4 1/20 0.40
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL2030080 0.82 GAA (0.55) GAAKDM4ESMN1; SMN2TDP1RAB9A
SCHEMBL27392467 0.81 NOS2 (0.48) NOS2GAAKDM4ESMN1; SMN2TDP1
SCHEMBL975740 0.78 CA12 (0.41) GAAKDM4ESMN1; SMN2TDP1LMNA
SCHEMBL21435138 0.77 NOS2 (0.42) NOS2CPN1CPB2
SCHEMBL587681 0.77 LMNA (0.53) GAAKDM4ESMN1; SMN2MAPTLMNA
SCHEMBL27282774 0.76 NOS2 (0.43) NOS2GAASMN1; SMN2ITGB3ITGA2B
SCHEMBL13673383 0.76 NOS2 (0.48) NOS2GAASMN1; SMN2
Cyclopropanecarboximidamide SCHEMBL6621298 0.76 NOS2 (0.77) NOS2CPN1CPB2KDM4EMAPT
SCHEMBL2933002 0.75 LMNA (0.37) GAAKDM4ESMN1; SMN2TDP1LMNA
SCHEMBL2933003 0.75 LMNA (0.37) GAAKDM4ESMN1; SMN2TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2858983-B1 TNF-ALPHA MODULATING BENZIMIDAZOLES UCB BIOPHARMA SPRL (BE) 2018-04-18 EP disclosed
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
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 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-20150152065-A1 TNF -Alpha Modulating Benzimidazoles TNF, TNFRSF1A, NFKBIA NOS2 561/4885CPN1 4752/4885CPB2 3608/4885
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT1, CTNNB1, WNT3A NOS2 3442/4885CPN1 4032/4885CPB2 4020/4885

“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.