SCHEMBL18477608

SCHEMBL18477608

CNC(=O)CCCNCN

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
PAOX Q6QHF9 1/20 0.38
NAMPT P43490 1/20 0.33
POLB P06746 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MCL1 Q07820 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
DNM1 Q05193 1/20 0.32
TSHR P16473 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
MTNR1A P48039 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL6902756 0.80 CYP2C19 (0.46) LMNAMCL1TSHRHSP90AA1
SCHEMBL18477609 0.80 LMNA (0.43) LMNAPAOXNAMPTPOLBMCL1
SCHEMBL13123495 0.78 LMNA (0.41) LMNAPAOXNAMPTPOLBMCL1
SCHEMBL12791496 0.77 PAOX (0.55) LMNAPAOXHDAC6TSHR
SCHEMBL2742896 0.77
SCHEMBL2527724 0.77
SCHEMBL12847701 0.76 CA12 (0.46) LMNAPAOXHDAC6
SCHEMBL5909180 0.75 LMNA (0.57) LMNANAMPTPOLBMCL1HDAC1
SCHEMBL7753090 0.75 LMNA (0.57) LMNANAMPTPOLBMCL1HDAC1
Hydrochloric Acid SCHEMBL6044378 0.75

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-20170035906-A1 (ANTI-HER2 ANTIBODY)-DRUG CONJUGATE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-02-09 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-20170035906-A1 (ANTI-HER2 ANTIBODY)-DRUG CONJUGATE ERBB2, EGFR, LANCL2 LMNA 139/4885PAOX 3964/4885NAMPT 2737/4885

“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.