SCHEMBL12569604

SCHEMBL12569604

Cc1cc(F)cc(C(=O)N2CCCC2)c1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.74
SMN1; SMN2 Q16637 2/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 1/20 0.49
MLYCD O95822 1/20 0.47
GRM5 P41594 1/20 0.47
TSHR P16473 1/20 0.46
HSD11B1 P28845 1/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL12569385 0.97 HPGD (0.69) HPGDSMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL12569437 0.87 HPGD (0.96) HPGDSMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL18354451 0.85 HPGD (1.00) HPGDSMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL11734086 0.85 HPGD (1.00) HPGDSMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL12846471 0.85 HPGD (0.54) HPGDSMN1; SMN2KDM4EALDH1A1TSHR
SCHEMBL12569628 0.83 HPGD (0.89) HPGDSMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL13495499 0.79 KDM4E (0.77) HPGDSMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL12548117 0.79 HPGD (0.74) HPGDSMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL7909422 0.79 SMN1; SMN2 (0.53) HPGDSMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL12545688 0.79 ALDH1A1 (0.54) HPGDSMN1; SMN2KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 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 (2 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 HPGD 3092/4885SMN1; SMN2 1538/4885KMT2A 1610/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 HPGD 3092/4885SMN1; SMN2 1538/4885KMT2A 1610/4885

“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.