SCHEMBL2294719

SCHEMBL2294719

CCOC(=O)CC(c1ccccc1)n1cnc2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 8/20 0.45
KMT2A Q03164 7/20 0.45
MEN1 O00255 6/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
HDAC1 Q13547 1/20 0.43
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL2294694 0.90 MAPT (0.47) POLBNPC1RAB9AMAPTKMT2A
SCHEMBL2299363 0.84 MAPT (0.47) POLBNPC1RAB9AMAPTKMT2A
SCHEMBL2298363 0.82 ANO1 (0.46) RAB9AMAPTKMT2AMEN1ALDH1A1
SCHEMBL12419753 0.82 HRH3 (0.50) RAB9AMAPTKMT2AMEN1ALDH1A1
SCHEMBL2292791 0.79 MAPT (0.54) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL2291209 0.75 KDM4E (0.45) POLBNPC1RAB9AMAPTALDH1A1
SCHEMBL5284614 0.75 NR1I2 (0.46) RAB9AMAPTKMT2AMEN1ALDH1A1
SCHEMBL2294585 0.75 HTR2C (0.45) KMT2AMEN1
SCHEMBL5280184 0.74 SMN1; SMN2 (0.37) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL8265765 0.74 KDM4E (0.39) POLBNPC1RAB9AMAPTKMT2A

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-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 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-20060116383-A1 Integrin antagonists useful as anticancer agents ITGB5, ITGA5, ITGB1 POLB 4465/4885NPC1 2770/4885RAB9A 1893/4885

“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.