SCHEMBL5653274

SCHEMBL5653274

O=C(NCCCN1CCOCC1)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR3A P46098 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MET P08581 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL5652221 0.94 TNKS2 (0.49) TSHRLMNASMN1; SMN2HTR3ACYP2D6
SCHEMBL5652228 0.94 TNKS2 (0.49) TSHRLMNASMN1; SMN2HTR3ACYP2D6
SCHEMBL5651241 0.94 MET (0.49) TSHRLMNASMN1; SMN2HTR3ACYP2D6
SCHEMBL5651252 0.94 MET (0.49) TSHRLMNASMN1; SMN2HTR3ACYP2D6
SCHEMBL5652745 0.90 MET (0.52) TSHRLMNASMN1; SMN2HTR3ACYP2D6
SCHEMBL5651622 0.90 TNKS2 (0.52) TSHRLMNASMN1; SMN2HTR3ACYP2D6
SCHEMBL5652239 0.88 CYP2D6 (0.61) TSHRLMNASMN1; SMN2CYP2D6CYP2C9
SCHEMBL5650316 0.87 HDAC3 (0.54) TSHRSMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL5651323 0.86 TSHR (0.53) TSHRLMNASMN1; SMN2CYP2D6CYP2C9
SCHEMBL5653202 0.86 MET (0.51) TSHRLMNASMN1; SMN2HTR3ACYP2D6

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 TSHR 161/4885LMNA 4376/4885SMN1; SMN2 1510/4885

“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.