SCHEMBL5649155

SCHEMBL5649155

O=C(NN1CCCCC1)c1ccc(-c2nc3cc4ccccc4cc3[nH]2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.44
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 3/20 0.40
POLB P06746 3/20 0.40
HTT P42858 3/20 0.40
NPC1 O15118 4/20 0.39
MAPT P10636 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KMT2A Q03164 3/20 0.39
PKM P14618 1/20 0.39
CNR1 P21554 4/20 0.39
RPS6KB2 Q9UBS0 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CNR2 P34972 2/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL5650879 0.84 CNR2 (0.40) HDAC6LMNAKMT2ACNR1CNR2
SCHEMBL5653176 0.84 HDAC6 (0.39) HDAC6LMNAKMT2ACNR1CNR2
SCHEMBL5649026 0.82 DGAT1 (0.43) HDAC6
SCHEMBL5651534 0.81 HTT (0.52) HDAC6HTT
SCHEMBL5654880 0.79 AURKA (0.45) HDAC6HTT
SCHEMBL5649151 0.76 HDAC6 (0.45) HDAC6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5652908 0.76 HTT (0.43) HDAC6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5652478 0.76 HDAC6 (0.48) HDAC6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4104298 0.75 CHEK1 (0.44) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL5651508 0.74 KMT2A (0.46) HDAC6KDM4EHPGDHSD17B10POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220769-B2 Azolylbenzamides and analogues and their use for treating osteoporosis NIKEM RESEARCH S.R.L. (IT) 2007-05-22 US disclosed
US-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis 3-V BIOSCIENCES, INC. 2005-02-17 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-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis NR0B2, NR0B1, NCOR1 HDAC6 537/4885KDM4E 1605/4885ALDH1A1 2893/4885

“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.