SCHEMBL1753722

SCHEMBL1753722

BC/C=C/c1ccn(-c2ccc(Br)cc2)c(=O)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
KMT2A Q03164 1/20 0.31
ALKBH5 Q6P6C2 1/20 0.31
GRM1 Q13255 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30

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
SCHEMBL1753478 0.79 SMN1; SMN2 (0.44) HTTALDH1A1SMN1; SMN2KMT2AHDAC3
SCHEMBL1753665 0.78 ALDH1A1 (0.41) HTTALDH1A1ALOX15ATMSMN1; SMN2
SCHEMBL1753746 0.71 HTT (0.44) HTTALDH1A1ALOX15ATMSMN1; SMN2
SCHEMBL1753846 0.69 FFAR4 (0.34) HTTALDH1A1ALOX15ATMSMN1; SMN2
SCHEMBL1001458 0.69 HDAC3 (0.41) HTTALDH1A1SMN1; SMN2KMT2AHDAC3
SCHEMBL1001459 0.69 HDAC3 (0.41) HTTALDH1A1SMN1; SMN2KMT2AHDAC3
SCHEMBL10087069 0.67 HTT (0.53) HTTALDH1A1ALOX15ATMSMN1; SMN2
SCHEMBL1753473 0.67 ALDH1A1 (0.41) HTTALDH1A1ALOX15ATMSMN1; SMN2
SCHEMBL29348799 0.67 ALDH1A1 (0.41) HTTALDH1A1ALOX15ATMSMN1; SMN2
SCHEMBL1753476 0.67 HTT (0.38) HTTALDH1A1ALOX15ATMSMN1; SMN2

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-8158643-B2 Substituted diaza-spiro-pyridinone derivatives for use in MCH-1 mediated diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US disclosed
US-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-11 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-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES MCHR1, MCHR2, MC1R HTT 636/4885ALDH1A1 281/4885ALOX15 1811/4885

“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.