SCHEMBL4130631

SCHEMBL4130631

O=C(Cc1c(Cl)cccc1Cl)N1CCC(N2CN=C(c3ccccc3)c3ccccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
DGAT1 O75907 1/20 0.42
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CALCRL Q16602 10/20 0.39
RAMP1 O60894 7/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CCR3 P51677 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37

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
SCHEMBL4130629 0.71 KMT2A (0.46) KMT2AMEN1DGAT1MAPTSMN1; SMN2
SCHEMBL4134698 0.64 KMT2A (0.47) KMT2AMEN1DGAT1MAPTKDM4E
SCHEMBL10975595 0.63 DDB1 (0.54) KMT2AMEN1MAPTSMN1; SMN2KDM4E
SCHEMBL9653373 0.61 CCKBR (0.43) KMT2AMEN1HDAC3HDAC4HDAC1
SCHEMBL10859607 0.61 L3MBTL1 (0.59) KMT2AMEN1MAPTSMN1; SMN2KDM4E
SCHEMBL27397341 0.61 HDAC3 (0.45) KMT2AMEN1MAPTSMN1; SMN2KDM4E
SCHEMBL28673794 0.61 GABRA1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9651663 0.61 CCKBR (0.42) KMT2AMEN1HDAC3HDAC4HDAC1
SCHEMBL23573323 0.60 KMT2A (0.67) KMT2AMEN1MAPTSMN1; SMN2KDM4E
SCHEMBL3768053 0.60 KMT2A (0.57) KMT2AMEN1MAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2009-04-23 US claimed

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-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY SHH, GLI1, SMO KMT2A 1508/4885MEN1 377/4885DGAT1 1605/4885

“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.