SCHEMBL2989969

SCHEMBL2989969

COc1cc(C(CCN2CCCCC2)N2C(=O)c3cscc3C2=O)ccc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TNF P01375 5/20 0.48
APP P05067 4/20 0.46
LTA4H P09960 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE4A P27815 4/20 0.43
PDE4B Q07343 4/20 0.43
PDE4C Q08493 4/20 0.43
PDE4D Q08499 4/20 0.43
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL3001856 0.84 TNF (0.52) MEN1KMT2ATNFAPPNPC1
SCHEMBL2999761 0.84 TNF (0.51) MEN1KMT2ATNFKDM4EPDE4A
SCHEMBL3000886 0.82 TNF (0.49) MEN1KMT2ATNFAPPNPC1
SCHEMBL2994300 0.81 PDE4A (0.67) TNFNPC1RAB9AALDH1A1PDE4A
SCHEMBL2988010 0.80 TNF (0.69) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL15015430 0.80 TNF (0.68) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL2999731 0.79 TNF (0.56) TNFAPPPDE4APDE4BPDE4C
SCHEMBL2993032 0.78 MEN1 (0.56) MEN1KMT2AAPPLTA4HNPC1
SCHEMBL28454956 0.77 PDE4B (0.67) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL2990442 0.77 TNF (0.53) TNFPDE4APDE4BPDE4CPDE4D

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 3 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 claimed
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 MEN1 642/4885KMT2A 4801/4885TNF 1/4885

“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.