SCHEMBL15550309

SCHEMBL15550309

CCc1c(C(N)=O)ccnc1-c1nc2ccccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.46
KDM4E B2RXH2 7/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 6/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
HSD17B10 Q99714 2/20 0.42
PKM P14618 2/20 0.42
ABCB11 O95342 1/20 0.42
TP53 P04637 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL15550311 0.81 KDM4E (0.46) CHEK1KDM4ERAB9AMAPTHTT
SCHEMBL15550994 0.81 RAB9A (0.58) KDM4ERAB9AMAPTHTTALDH1A1
SCHEMBL28903885 0.76 CHEK2 (0.53) CHEK1KDM4ERAB9AALDH1A1NPC1
SCHEMBL15550990 0.74 PARP1 (0.50) CHEK1KDM4ERAB9AMAPTHTT
SCHEMBL30914200 0.71 KDM4E (0.46) CHEK1KDM4ERAB9AMAPTHTT
SCHEMBL30412663 0.71 RAB9A (0.75) KDM4ERAB9AMAPTHTTALDH1A1
SCHEMBL3698974 0.71 RAB9A (0.75) KDM4ERAB9AMAPTHTTALDH1A1
SCHEMBL2798614 0.70 KDM4E (0.65) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL15552376 0.70 KDM4E (0.48) KDM4ERAB9AMAPTHTTALDH1A1
SCHEMBL15552372 0.70 HPSE (0.45) CHEK1KDM4ERAB9AMAPTHTT

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 CHEK1 2348/4885KDM4E 3916/4885RAB9A 1951/4885

“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.