SCHEMBL21158027

SCHEMBL21158027

O=C(CCl)N1CC=C(c2ccc(-c3nnco3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CNR1 P21554 1/20 0.44
GAA P10253 3/20 0.42
PKM P14618 3/20 0.42
NOTUM Q6P988 3/20 0.41
JAK1 P23458 1/20 0.39
QDPR P09417 2/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
NAMPT P43490 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
SCHEMBL18113590 0.80 TRPV1 (0.47) KMT2AMEN1SMN1; SMN2CNR1JAK1
SCHEMBL18113482 0.77 MEN1 (0.43) KMT2AMEN1CNR1GAAJAK1
SCHEMBL186753 0.77 MEN1 (0.52) KMT2AMEN1SMN1; SMN2CNR1JAK1
SCHEMBL27886023 0.76 MEN1 (0.71) KMT2AMEN1SMN1; SMN2L3MBTL1CNR1
SCHEMBL18121828 0.76 NOTUM (0.49) KMT2AMEN1CNR1NOTUMJAK1
SCHEMBL18113564 0.76 KDM4E (0.51) KMT2AMEN1HSD17B10CNR1JAK1
SCHEMBL1198534 0.75 MEN1 (0.51) KMT2AMEN1SMN1; SMN2CNR1JAK1
SCHEMBL18113493 0.73 MEN1 (0.43) KMT2AMEN1CNR1JAK1QDPR
SCHEMBL18113611 0.73 MEN1 (0.43) KMT2AMEN1SMN1; SMN2CNR1NOTUM
SCHEMBL20414631 0.72 MEN1 (0.45) KMT2AMEN1SMN1; SMN2CNR1JAK1

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-20190201380-A1 SPIROCYCLIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. 2019-07-04 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-20190201380-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 KMT2A 3524/4885MEN1 840/4885SMN1; SMN2 3334/4885

“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.