SCHEMBL15415210

SCHEMBL15415210

Cc1[c]nccc1C1SCCNC1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAP2K1 Q02750 6/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL15415282 0.74 MAP2K1 (0.35) HSD17B10ALDH1A1HTTTDP1MAP2K1
SCHEMBL15416107 0.74 MAOA (0.43)
SCHEMBL16793349 0.71 MAP2K1 (0.32) MAP2K1RAB9ASMN1; SMN2
SCHEMBL12016001 0.69 MAPT (0.50) HSD17B10ALDH1A1HTTTDP1MAP2K1
SCHEMBL1971373 0.69 HTR2C (0.33)
SCHEMBL2328287 0.65 CA2 (0.46) HSD17B10ALDH1A1HTTTDP1MAP2K1
SCHEMBL323542 0.63 SMN1; SMN2 (0.50) HSD17B10ALDH1A1HTTTDP1MAP2K1
SCHEMBL16511638 0.63 CYP19A1 (0.41) HSD17B10ALDH1A1HTTTDP1MAP2K1
SCHEMBL22411021 0.63 MAP2K1 (0.48) ALDH1A1TDP1MAP2K1RAB9AGAA
SCHEMBL14824592 0.63 MAP2K1 (0.43) HSD17B10ALDH1A1HTTTDP1MAP2K1

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 8 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-9475820-B2 Substituted imidazo[1,2-a]pyrazines as TNF activity modulators UCB BIOPHARMA SPRL (BE) 2016-10-25 US disclosed
US-20150191482-A1 Imidazopyrazine Derivatives as Modulators of TNF Activity UCB BIOPHARMA SPRL (BE) 2015-07-09 US disclosed
US-20150152065-A1 TNF -Alpha Modulating Benzimidazoles UCB BIOPHARMA SPRL (BE) 2015-06-04 US disclosed
EP-2872511-A1 IMIDAZOPYRAZINE 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-2014009296-A1 IMIDAZOPYRAZINE 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 (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 HSD17B10 3895/4885ALDH1A1 317/4885HTT 1177/4885
US-20150191482-A1 Imidazopyrazine Derivatives as Modulators of TNF Activity TNF, TNFRSF1A, NFKBIA HSD17B10 4245/4885ALDH1A1 1230/4885HTT 1350/4885

“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.