SCHEMBL5650316

SCHEMBL5650316

O=C(NCCCN1CCOCC1)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
TSHR P16473 1/20 0.54
PRSS12 P56730 2/20 0.54
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.53
DUSP3 P51452 1/20 0.53
PTPN5 P54829 1/20 0.53
PTPN11 Q06124 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
HTR1A P08908 1/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
KCNH2 Q12809 1/20 0.51
CD274 Q9NZQ7 1/20 0.51

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
SCHEMBL5648730 0.93 HDAC3 (0.51) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5650430 0.93 MAPK14 (0.53) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5648739 0.93 HDAC3 (0.51) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5650438 0.93 MAPK14 (0.53) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5652001 0.90 KDM4E (0.58) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5652745 0.87 MET (0.52) TSHRALDH1A1SMN1; SMN2
SCHEMBL5653274 0.87 TSHR (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5651622 0.87 TNKS2 (0.52) TSHRPOLBSMN1; SMN2
SCHEMBL5653810 0.85 CD274 (0.59) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5653799 0.85 CD274 (0.59) HDAC3HDAC1HDAC2HDAC8HDAC6

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 HDAC3 108/4885HDAC1 65/4885HDAC2 100/4885

“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.