SCHEMBL7901560

SCHEMBL7901560

[C-]#[N+]c1c(SC)nc(-c2ccccc2)nc1N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
LMNA P02545 3/20 0.49
KMT2A Q03164 3/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
KDM4E B2RXH2 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
HTT P42858 3/20 0.48
TSHR P16473 3/20 0.47
USP2 O75604 2/20 0.47
MEN1 O00255 2/20 0.47
PIK3CA P42336 2/20 0.47
GLA P06280 1/20 0.46
HSD17B10 Q99714 2/20 0.45
MAPK1 P28482 2/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CASP1 P29466 1/20 0.43

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
SCHEMBL7892613 0.86 PIK3CA (0.53) GAAKMT2AHPGDKDM4ETRPM8
SCHEMBL7901615 0.86 TP53 (0.49) LMNAKMT2ATP53HPGDKDM4E
SCHEMBL7899940 0.82 TSHR (0.47) LMNAKMT2ATP53HPGDKDM4E
SCHEMBL4787255 0.79 KDM4E (0.70) GAALMNAKMT2ATP53HPGD
SCHEMBL7900211 0.78 PRKCI (0.45) LMNAKMT2ATP53HPGDKDM4E
SCHEMBL7900089 0.76 CA2 (0.46) HPGDTRPM8PIK3CAMAPTALDH1A1
SCHEMBL7892625 0.75 BRD4 (0.49) GAALMNAKMT2AHPGDKDM4E
SCHEMBL7892711 0.74 SIGMAR1 (0.51) GAALMNAKMT2AHPGDKDM4E
SCHEMBL7892628 0.74 LMNA (0.50) LMNAKMT2ATP53HPGDKDM4E
SCHEMBL7899744 0.73 ALDH1A1 (0.44) LMNAKMT2ATP53HPGDKDM4E

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-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 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-20080221103-A1 New heterocyclic compounds LOXL4, CXCR4, LTC4S GAA 1340/4885LMNA 1220/4885KMT2A 4045/4885

“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.