SCHEMBL16664635

SCHEMBL16664635

COc1cc(C#N)c([N+](=O)[O-])cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
GRIA1 P42261 2/20 0.45
GRIA2 P42262 2/20 0.45
GRIA3 P42263 2/20 0.45
GRIA4 P48058 2/20 0.45
ALOX15 P16050 2/20 0.45
GRM6 O15303 1/20 0.45
CYP1A2 P05177 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
APEX1 P27695 1/20 0.44
BLM P54132 1/20 0.44
VCAM1 P19320 2/20 0.44
ALDH1A1 P00352 3/20 0.41
EGFR P00533 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
PRKDC P78527 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
SCHEMBL34462079 0.94 MAPT (0.45) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL26426493 0.94 MAPT (0.45) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL2773208 0.87 MAPT (0.53) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL5323748 0.83 MAPT (0.46) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL25427390 0.81 ALDH1A1 (0.53) MAPTALOX15TDP1POLBALDH1A1
SCHEMBL406002 0.81 MAPT (0.54) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL5027796 0.81 EGFR (0.47) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL3315272 0.81 TDP1 (0.41) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL3566138 0.81 AR (0.46) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL6371735 0.80 ALDH1A1 (0.48) MAPTALOX15TDP1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458170-B2 Compound of camptothecin and preparation and use thereof YULIANG LI (CN) 2016-10-04 US disclosed
US-9458170-B2 Compound of camptothecin and preparation and use thereof YULIANG LI (CN) 2016-10-04 US disclosed
US-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (CN) 2015-06-18 US disclosed
US-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (CN) 2015-06-18 US disclosed
EP-2862571-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (MN) 2015-04-22 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-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF TOP2A, TOP2B, TYMP MAPT 3928/4885GRIA1 4641/4885GRIA2 4745/4885

“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.