SCHEMBL5850747

SCHEMBL5850747

O=C(CCCOc1cccc2[nH]nnc12)N1CCN(c2ncnc3[nH]cnc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 7/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
TSHR P16473 3/20 0.37
MAPK1 P28482 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
LDHA P00338 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
PDGFRB P09619 1/20 0.36
AVPR2 P30518 1/20 0.35
AVPR1A P37288 1/20 0.35
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35

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
SCHEMBL5850780 0.88 MAPT (0.49) MAPTSMN1; SMN2TSHRMAPK1HSD17B10
SCHEMBL5851425 0.86 KMT2A (0.37) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL5849772 0.82 CNR2 (0.38) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL5851457 0.81 ALDH1A1 (0.38) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL5849063 0.80 P2RY12 (0.42) KMT2AMEN1MAPTSMN1; SMN2TSHR
SCHEMBL5849692 0.80 P2RY12 (0.44) KMT2AMEN1MAPTSMN1; SMN2KDM4E
SCHEMBL5851314 0.79 KDM4E (0.56) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL5851379 0.79 P2RY12 (0.56) KMT2AMEN1MAPTSMN1; SMN2TSHR
SCHEMBL5850759 0.78 P2RY12 (0.42) KMT2AMEN1MAPTSMN1; SMN2KDM4E
SCHEMBL5850944 0.78 MAPT (0.42) KMT2AMEN1MAPTSMN1; SMN2TSHR

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
US-7115741-B2 4-thieno[2,3-D]pyrimidin-4-YL piperazine compounds ALEXION PHARMACEUTICALS, INC. 2006-10-03 US disclosed
US-20030153556-A1 Piperazine and homopiperazine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-08-14 US disclosed
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 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 (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-20030153556-A1 Piperazine and homopiperazine compounds HAMP, MPL, F2 KMT2A 1823/4885MEN1 2603/4885MAPT 4002/4885

“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.