SCHEMBL5650010

SCHEMBL5650010

O=C(NN1CCCCC1)c1ccc(-c2nc3cccc(O)c3[nH]2)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CNR1 P21554 4/20 0.37
PARP1 P09874 1/20 0.36
HDAC6 Q9UBN7 3/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
CNR2 P34972 4/20 0.35

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
SCHEMBL5649122 0.88 HTT (0.40) HTTMAPTMEN1CYP1A2CYP2C9
SCHEMBL5651036 0.86 HDAC6 (0.43) HTTMAPTMEN1KMT2AHDAC6
SCHEMBL5652295 0.83 HTT (0.48) HTTHPGDCNR1HDAC6LMNA
SCHEMBL5651542 0.83 KMT2A (0.42) HTTMAPTMEN1KMT2ALMNA
SCHEMBL5650045 0.82 HTT (0.38) HTTCNR1CNR2
SCHEMBL5649151 0.81 HDAC6 (0.45) HTTMAPTMEN1CYP1A2CYP2C9
SCHEMBL5652259 0.79 PRSS12 (0.47) MAPTMEN1CYP1A2CYP2C9HPGD
SCHEMBL5652484 0.78 HPSE (0.48) HTTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL5649928 0.77 FLT3 (0.48)
SCHEMBL5653967 0.77 AURKA (0.45) HTTMAPTMEN1CYP1A2CYP2C9

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 HTT 4354/4885MAPT 4259/4885MEN1 3545/4885

“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.