SCHEMBL5650430

SCHEMBL5650430

Cc1cc2[nH]c(-c3ccc(C(=O)NCCCN4CCOCC4)cc3)nc2cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.53
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
TSHR P16473 1/20 0.51
TNKS2 Q9H2K2 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
DUSP3 P51452 1/20 0.50
PTPN5 P54829 1/20 0.50
PTPN11 Q06124 1/20 0.50
PRSS12 P56730 1/20 0.49
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL5650438 0.97 MAPK14 (0.53) MAPK14HDAC3HDAC1HDAC2HDAC8
SCHEMBL5650316 0.93 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5653779 0.90 TNKS2 (0.51) MAPK14TSHRTNKS2SMN1; SMN2POLB
SCHEMBL5648730 0.90 HDAC3 (0.51) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5648739 0.88 HDAC3 (0.51) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5652697 0.88 MET (0.51) MAPK14TNKS2SMN1; SMN2ALDH1A1POLB
SCHEMBL5652221 0.88 TNKS2 (0.49) MAPK14TSHRTNKS2SMN1; SMN2POLB
SCHEMBL5652001 0.87 KDM4E (0.58) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5653782 0.86 TNKS2 (0.51) MAPK14TSHRTNKS2SMN1; SMN2ALDH1A1
SCHEMBL5648659 0.86 CYP2D6 (0.59) MAPK14TSHRTNKS2SMN1; SMN2ALDH1A1

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 MAPK14 1445/4885HDAC3 108/4885HDAC1 65/4885

“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.