SCHEMBL87923

SCHEMBL87923

COCC(=O)NCC(C)[NH]

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
HPGD P15428 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SPR P35270 1/20 0.35
HCRTR2 O43614 1/20 0.34
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL12888245 0.83 SMN1; SMN2 (0.50) HPGDSMN1; SMN2KMT2ALMNAALDH1A1
SCHEMBL13744709 0.81 HPGD (0.41) TSHRHPGDSMN1; SMN2KMT2ALMNA
SCHEMBL13744668 0.81 HPGD (0.41) TSHRHPGDSMN1; SMN2KMT2ALMNA
SCHEMBL15834107 0.81 HPGD (0.41) TSHRHPGDSMN1; SMN2KMT2ALMNA
SCHEMBL87924 0.79 HPGD (0.40) TSHRHPGDSMN1; SMN2KMT2ALMNA
SCHEMBL8538369 0.78 TSHR (0.39) TSHRHPGDSMN1; SMN2LMNANPSR1
SCHEMBL18769009 0.78 SMN1; SMN2 (0.39) TSHRHPGDSMN1; SMN2KMT2ALMNA
SCHEMBL18769101 0.75 HPGD (0.37) TSHRHPGDSMN1; SMN2KMT2ALMNA
SCHEMBL25646520 0.75 HPGD (0.37) TSHRHPGDSMN1; SMN2KMT2ALMNA
SCHEMBL8587563 0.75 GAA (0.38) TSHRHPGDSMN1; SMN2LMNANPSR1

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-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 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 (2 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS TSHR 3286/4885HPGD 2043/4885SMN1; SMN2 3581/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS TSHR 3980/4885HPGD 1378/4885SMN1; SMN2 3793/4885

“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.