SCHEMBL2997281

SCHEMBL2997281

CCOc1cc(C(N)CC(=O)NCc2ccccc2)ccc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.58
F2 P00734 2/20 0.53
F10 P00742 2/20 0.53
PRSS1 P07477 2/20 0.53
F7 P08709 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MAPT P10636 1/20 0.51
PDE4A P27815 3/20 0.50
PDE4B Q07343 3/20 0.50
PDE4C Q08493 3/20 0.50
PDE4D Q08499 3/20 0.50
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 1/20 0.49
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL21494482 0.82 PDE4A (0.59) TNFSMN1; SMN2LMNANPSR1MAPT
SCHEMBL2989854 0.82 PDE4A (0.59) TNFSMN1; SMN2LMNANPSR1MAPT
SCHEMBL21494493 0.82 PDE4A (0.59) TNFSMN1; SMN2LMNANPSR1MAPT
Hydrochloric Acid SCHEMBL21494466 0.81 PDE4A (0.58) TNFSMN1; SMN2LMNANPSR1MAPT
SCHEMBL3558885 0.81 PDE4A (0.60) TNFSMN1; SMN2LMNANPSR1MAPT
Hydrochloric Acid SCHEMBL23000633 0.81 PDE4A (0.58) TNFSMN1; SMN2LMNANPSR1MAPT
SCHEMBL21494483 0.81 PDE4A (0.60) TNFSMN1; SMN2LMNANPSR1MAPT
SCHEMBL2995776 0.81 PDE4A (0.60) TNFSMN1; SMN2LMNANPSR1MAPT
Hydrochloric Acid SCHEMBL21494464 0.81 PDE4A (0.58) TNFSMN1; SMN2LMNANPSR1MAPT
SCHEMBL30568367 0.81 PDE4A (0.60) TNFSMN1; SMN2LMNANPSR1MAPT

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 disclosed
US-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF ZHANG HESHENG 2010-07-15 US disclosed
EP-2083011-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF Tian Jin Hemay Bio-Tech Co., Ltd. (CN) 2009-07-29 EP 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 TNF 1/4885F2 1075/4885F10 667/4885

“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.