SCHEMBL1663330

SCHEMBL1663330

O=Cc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
POLB P06746 4/20 0.65
EPHX2 P34913 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
KDM4E B2RXH2 1/20 0.63
SCN9A Q15858 1/20 0.62
TSHR P16473 2/20 0.61
ALDH1A1 P00352 3/20 0.60
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60

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
SCHEMBL1663332 0.78 HDAC8 (0.73) SMN1; SMN2KDM4EALDH1A1HDAC8HDAC6
SCHEMBL20910885 0.78 ALDH1A1 (0.68) CYP2D6CYP2C9POLBEPHX2SMN1; SMN2
SCHEMBL4326786 0.77 ALDH1A1 (0.70) POLBEPHX2SMN1; SMN2SCN9ATSHR
SCHEMBL328566 0.76 ALDH1A1 (0.70) CYP2C9POLBEPHX2SMN1; SMN2SCN9A
SCHEMBL9555514 0.76 POLB (0.69) POLBEPHX2SMN1; SMN2SCN9ATSHR
SCHEMBL1662920 0.75 ALDH1A1 (0.88) CYP2D6CYP2C9POLBSMN1; SMN2SCN9A
SCHEMBL1064411 0.75 HDAC1 (1.00) CYP2D6CYP2C9TSHRHDAC3HDAC4
SCHEMBL19889013 0.75 ALDH1A1 (0.60) CYP2C9POLBEPHX2SMN1; SMN2SCN9A
SCHEMBL8349329 0.74 HDAC1 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7430971 0.73 ALDH1A1 (0.68) POLBSMN1; SMN2SCN9ATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 US disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO 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 (3 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-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL CYP2D6 4727/4885CYP2C9 4883/4885POLB 3018/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF CYP2D6 4862/4885CYP2C9 4885/4885POLB 3224/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF CYP2D6 4862/4885CYP2C9 4885/4885POLB 3224/4885

“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.