SCHEMBL15416319

SCHEMBL15416319

O=C(c1[c]nccc1)N1CCSCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RAB9A P51151 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
GRM5 P41594 1/20 0.39
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.35
NPC1 O15118 2/20 0.35
AKR1C3 P42330 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8823572 0.85 GNE (0.46) HPGDALDH1A1L3MBTL1NPC1
SCHEMBL22683907 0.85 GNE (0.42) HPGDALDH1A1L3MBTL1KMT2ANPC1
SCHEMBL4234752 0.83 HRH4 (0.47) HPGDRAB9AL3MBTL1GRM5KMT2A
SCHEMBL4351967 0.81 SMN1; SMN2 (0.47) HPGDALDH1A1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL15416006 0.81 SIGMAR1 (0.50) HPGDL3MBTL1KMT2A
SCHEMBL16585464 0.79 CYP2C9 (0.37) HPGDALDH1A1HSD17B10L3MBTL1
SCHEMBL6347565 0.74 HPGD (0.46) HPGDALDH1A1HSD17B10RAB9AGRM5
SCHEMBL22684227 0.70 SPR (0.32) L3MBTL1
SCHEMBL22684032 0.69 SPR (0.32) ALDH1A1L3MBTL1
SCHEMBL3547725 0.68 AR (0.35) ALDH1A1HSD17B10RAB9AL3MBTL1MAPT

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 HPGD 1362/4885ALDH1A1 317/4885HSD17B10 3895/4885
US-20150191482-A1 Imidazopyrazine Derivatives as Modulators of TNF Activity TNF, TNFRSF1A, NFKBIA HPGD 833/4885ALDH1A1 1230/4885HSD17B10 4245/4885

“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.