SCHEMBL2993032

SCHEMBL2993032

COc1cc(C([NH])CCN2CCCCC2)ccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
APP P05067 5/20 0.55
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
LTA4H P09960 1/20 0.52
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ALOX12 P18054 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CHRNA7 P36544 2/20 0.45
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL4372450 0.80 MEN1 (0.48) MEN1KMT2AAPPNPC1RAB9A
SCHEMBL4372447 0.79 MEN1 (0.48) MEN1KMT2AAPPNPC1RAB9A
SCHEMBL2989969 0.78 MEN1 (0.52) MEN1KMT2AAPPNPC1RAB9A
SCHEMBL6375554 0.73 NPC1 (0.52) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL30806026 0.73 NPC1 (0.52) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL12738664 0.73 NPC1 (0.55) MEN1KMT2AAPPNPC1RAB9A
Hydrochloric Acid SCHEMBL8747244 0.72 NPC1 (0.51) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL14168120 0.72 NPC1 (0.57) MEN1KMT2AAPPNPC1RAB9A
SCHEMBL19734616 0.72 NPC1 (0.57) MEN1KMT2AAPPNPC1RAB9A
SCHEMBL14167832 0.72 MEN1 (0.54) MEN1KMT2ANPC1RAB9AKDM4E

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-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 MEN1 642/4885KMT2A 4801/4885APP 3648/4885

“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.