SCHEMBL2995694

SCHEMBL2995694

Nc1cnccc1CCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC1 P19801 2/20 0.50
AOC3 Q16853 2/20 0.50
TBXAS1 P24557 13/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
KDM6B O15054 1/20 0.47
KDM4A O75164 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
KDM4D Q6B0I6 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC3 O15379 1/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 1/20 0.42
HDAC4 P56524 1/20 0.42
SLC6A3 Q01959 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
SCHEMBL2999880 0.90 AOC1 (0.53) AOC1AOC3TBXAS1MEN1KMT2A
SCHEMBL3326582 0.79 AOC1 (0.57) AOC1AOC3MEN1KMT2AKDM4E
SCHEMBL8216031 0.78 AOC1 (0.52) AOC1AOC3MEN1KMT2AKDM4E
SCHEMBL7207535 0.77 TBXAS1 (0.49) TBXAS1TDP1HDAC3MAPK1ADRA1A
SCHEMBL30428438 0.76 TBXAS1 (0.44) TBXAS1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL30427858 0.76 TBXAS1 (0.44) TBXAS1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL10205528 0.76 AOC1 (0.53) AOC1AOC3TBXAS1MEN1KMT2A
SCHEMBL197022 0.75 HDAC3 (0.57) TBXAS1MEN1KMT2AALDH1A1MAPT
SCHEMBL1979284 0.74 AOC1 (0.61) AOC1AOC3MEN1KMT2AKDM4E
SCHEMBL23540496 0.74 AOC1 (0.47) AOC1AOC3TBXAS1MEN1KMT2A

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 AOC1 176/4885AOC3 444/4885TBXAS1 1404/4885

“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.