SCHEMBL84434

SCHEMBL84434

COCC(=O)NCCNc1nccc(C(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
PPARG P37231 1/20 0.37
HTT P42858 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
NCOA3 Q9Y6Q9 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
SCHEMBL83989 0.86 HRH4 (0.36) HSD17B10ALDH1A1BCHEACHELMNA
SCHEMBL91482 0.83 KDM4E (0.49) HPGDHSD17B10KDM4EALDH1A1LMNA
SCHEMBL84366 0.83 CYP1A2 (0.44) HSD17B10ALDH1A1RAB9AMEN1KMT2A
SCHEMBL84421 0.81 SMN1; SMN2 (0.37) HPGDLMNASMN1; SMN2RAB9AMEN1
SCHEMBL84383 0.81 SYK (0.40) HPGDLMNASMN1; SMN2SYK
SCHEMBL10224750 0.81 HPGD (0.45) HPGDHSD17B10KDM4EALDH1A1LMNA
SCHEMBL84455 0.78 MKNK1 (0.48) HSD17B10KDM4EALDH1A1SMN1; SMN2
SCHEMBL84013 0.76 EIF2AK2 (0.48) HSD17B10KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL84065 0.75 MAPK9 (0.48) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL84398 0.73 ACACB (0.42) KDM4EALDH1A1

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-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 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
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 (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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS HPGD 2043/4885HSD17B10 3523/4885KDM4E 3041/4885

“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.