SCHEMBL15415737

SCHEMBL15415737

O=C(O)N1CC(O)(c2ncc(Br)cn2)C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 2/20 0.31
POLB P06746 1/20 0.31
HMOX1 P09601 1/20 0.30
AKR1C3 P42330 1/20 0.30

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
SCHEMBL18149352 0.83 ALDH1A1 (0.36) ALDH1A1KDM4ETSHRPOLBHMOX1
SCHEMBL31388731 0.77 KDM4E (0.33) KDM4E
SCHEMBL18152219 0.72 KDM4E (0.31) ALDH1A1KDM4E
SCHEMBL15156081 0.71 OPRM1 (0.43) KDM4E
SCHEMBL17654337 0.71 ALDH1A1 (0.38) ALDH1A1KDM4ETSHRPOLBAKR1C3
SCHEMBL15265308 0.70
SCHEMBL15265393 0.68 PKM (0.32)
SCHEMBL15265851 0.68
SCHEMBL31388935 0.68
SCHEMBL23538930 0.68 AKR1C3 (0.50) ALDH1A1KDM4ETSHRPOLBAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080115-B1 FUSED IMIDAZOLE AND PYRAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-05-08 EP disclosed
EP-2858983-B1 TNF-ALPHA MODULATING BENZIMIDAZOLES UCB BIOPHARMA SPRL (BE) 2018-04-18 EP disclosed
US-9868749-B2 Fused imidazole and pyrazole derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-01-16 US disclosed
US-9550737-B2 TNF -α modulating benzimidazoles UCB BIOPHARMA SPRL (BE) 2017-01-24 US disclosed
EP-3080115-A1 FUSED IMIDAZOLE AND PYRAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2016-10-19 EP disclosed
US-20160297837-A1 Fused Imidazole and Pyrazole Derivatives As Modulators of TNF Activity EVOTEC (UK) LTD. (GB) 2016-10-13 US disclosed
US-9309243-B2 Imidazopyridine derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2016-04-12 US disclosed
US-20150203486-A1 Imidazopyridine Derivatives as Modulators of TNF Activity UCB Biopharma SPRL a corporation 2015-07-23 US disclosed
WO-2015086506-A1 FUSED IMIDAZOLE AND PYRAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 WO disclosed
US-20150152065-A1 TNF -Alpha Modulating Benzimidazoles UCB BIOPHARMA SPRL (BE) 2015-06-04 US disclosed
EP-2872508-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2015-05-20 EP disclosed
EP-2858983-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB Biopharma SPRL (BE) 2015-04-15 EP disclosed
WO-2014009295-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB PHARMA S.A. (BE) 2014-01-16 WO 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 (3 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-20150203486-A1 Imidazopyridine Derivatives as Modulators of TNF Activity TNF, TNFRSF1A, IL1A ALDH1A1 297/4885KDM4E 4217/4885TSHR 660/4885
US-20150152065-A1 TNF -Alpha Modulating Benzimidazoles TNF, TNFRSF1A, NFKBIA ALDH1A1 317/4885KDM4E 3916/4885TSHR 1696/4885
US-20160297837-A1 Fused Imidazole and Pyrazole Derivatives As Modulators of TNF Activity TNF, TNFRSF1A, TNFRSF9 ALDH1A1 1610/4885KDM4E 4278/4885TSHR 753/4885

“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.