SCHEMBL5735341

SCHEMBL5735341

O=C(NCCN1CCN(c2ccccc2)CC1)Nc1ccnc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
MEN1 O00255 1/20 0.60
DRD2 P14416 1/20 0.57
DRD3 P35462 1/20 0.57
MAPT P10636 3/20 0.54
PKM P14618 1/20 0.54
HTR1A P08908 1/20 0.54
KCNH2 Q12809 1/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
GAA P10253 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HDAC8 Q9BY41 2/20 0.53
POLB P06746 1/20 0.53
TP53 P04637 1/20 0.52

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
SCHEMBL5733143 0.92 TP53 (0.58) KMT2ASMN1; SMN2MEN1DRD2DRD3
SCHEMBL5737122 0.90 KMT2A (0.66) KMT2ASMN1; SMN2MEN1MAPTPKM
SCHEMBL5734260 0.89 KCNH2 (0.59) KMT2ASMN1; SMN2MEN1DRD2DRD3
SCHEMBL5734194 0.88 MEN1 (0.58) KMT2AMEN1DRD2DRD3HTR1A
SCHEMBL5735461 0.87 MAPT (0.57) KMT2AMEN1DRD2MAPTCA1
SCHEMBL5732534 0.87 MAPT (0.58) DRD2DRD3MAPTHTR1AGAA
SCHEMBL5527306 0.87 HRH3 (0.68) KMT2AMEN1KDM4EHDAC8POLB
SCHEMBL5734203 0.86 KMT2A (0.58) KMT2AMEN1DRD2DRD3MAPT
SCHEMBL5733134 0.86 KMT2A (0.57) KMT2AMEN1DRD2DRD3MAPT
SCHEMBL5733269 0.85 CA1 (0.56) KMT2AMEN1DRD2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211707-A1 Piperazine-alkyl-ureido derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2006-09-21 US claimed
EP-1631565-A1 PIPERAZINE-ALKYL-UREIDO DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-03-08 EP claimed
WO-2004099179-A1 PIPERAZINE-ALKYL-UREIDO DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-11-18 WO claimed
US-20060211707-A1 Piperazine-alkyl-ureido derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2006-09-21 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-20060211707-A1 Piperazine-alkyl-ureido derivatives ADRA2C, UTS2R, ADRB2 KMT2A 2377/4885SMN1; SMN2 2314/4885MEN1 1785/4885

“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.