SCHEMBL2990451

SCHEMBL2990451

COC(=O)CCCN1C(=O)c2cscc2C1=O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
HSD17B10 Q99714 3/20 0.50
MEN1 O00255 3/20 0.50
KAT2B Q92831 3/20 0.47
MAPT P10636 2/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.42
GAA P10253 2/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL2995782 0.90 CASP3 (0.45) KMT2AMEN1KAT2BMAPTALDH1A1
SCHEMBL28908599 0.83 KMT2A (0.70) KMT2AHSD17B10MEN1MAPTALDH1A1
SCHEMBL11514616 0.80 TSHR (0.52) KMT2AHSD17B10MEN1KAT2BMAPT
SCHEMBL9847185 0.77 HDAC8 (0.67) KMT2AHSD17B10MEN1MAPTALDH1A1
SCHEMBL7542052 0.77 HDAC8 (0.67) KMT2AHSD17B10MEN1MAPTALDH1A1
SCHEMBL7548208 0.77 HDAC8 (0.67) KMT2AHSD17B10MEN1MAPTALDH1A1
SCHEMBL7548687 0.77 HDAC8 (0.67) KMT2AHSD17B10MEN1MAPTALDH1A1
SCHEMBL8779372 0.77 HDAC8 (0.67) KMT2AHSD17B10MEN1MAPTALDH1A1
SCHEMBL7542107 0.77 HDAC8 (0.67) KMT2AHSD17B10MEN1MAPTALDH1A1
SCHEMBL29263645 0.77 HDAC8 (0.67) KMT2AHSD17B10MEN1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466191-B2 Pyrroline derivatives against cell releasing tumor necrosis factor, preparation methods and uses thereof ZHANG HESHENG (CN) 2013-06-18 US disclosed
US-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF ZHANG HESHENG 2010-07-15 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 (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-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TNF, IL1B, NOS1 KMT2A 4801/4885HSD17B10 3185/4885MEN1 642/4885

“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.