SCHEMBL16923663

SCHEMBL16923663

CC(=O)CN1CCN(C(=O)c2ccc(-c3c4nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.52
▸ CYCS P99999 3/20 0.51
▸ HTR2B P41595 3/20 0.45
▸ POLB P06746 1/20 0.44
▸ TSHR P16473 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ GHSR Q92847 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ENPP2 Q13822 1/20 0.42
▸ MGLL Q99685 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ FASN P49327 1/20 0.41

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
SCHEMBL16920371 0.89 TOP1 (0.49) TOP1CYCSHTR2BPOLBTSHR
SCHEMBL16920383 0.84 TOP1 (0.44) TOP1CYCSHTR2BPOLBTSHR
SCHEMBL16923657 0.83 MEN1 (0.53) TOP1CYCSKDM4EALDH1A1LMNA
SCHEMBL13495259 0.79 SETD7 (0.54) TOP1CYCSPOLBKDM4EALDH1A1
SCHEMBL17934755 0.78 TOP1 (0.52) TOP1CYCSHTR2BKDM4EENPP2
SCHEMBL16552331 0.77 TOP1 (0.71) TOP1CYCSMAPTENPP2
SCHEMBL17934753 0.76 TOP1 (0.46) TOP1CYCSHTR2BPOLBMEN1
SCHEMBL3688168 0.76 MEN1 (0.64) TSHRMAPK1KDM4EALDH1A1LMNA
Acetic Acid SCHEMBL9639956 0.76 TOP1 (0.67) TOP1CYCSENPP2
SCHEMBL16923680 0.75 TOP1 (0.49) TOP1CYCSHTR2BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150202293-A1 CONJUGATE OF A PHOTOSENSITISER AND CHITOSAN AND USES THEREOF PCI BIOTECH AS (NO) 2015-07-23 — — 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-20150202293-A1 CONJUGATE OF A PHOTOSENSITISER AND CHITOSAN AND USES THEREOF TLR3, CD47, TLR9 TOP1 2741/4885CYCS 3103/4885HTR2B 4290/4885

“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.

Send feedback