SCHEMBL5650188

SCHEMBL5650188

Cc1cc(C(=O)NCCCN2CCOCC2)ccc1-c1nc2c[nH]cnc-2n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
CYP2C9 P11712 2/20 0.52
CYP2D6 P10635 1/20 0.52
MAPK14 Q16539 1/20 0.52
EGLN1 Q9GZT9 1/20 0.51
TSHR P16473 2/20 0.50
USP2 O75604 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMYD2 Q9NRG4 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
UBE2N P61088 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
SCHEMBL5654821 0.88 CYP2D6 (0.56) POLBCYP2C9CYP2D6TSHRUSP2
SCHEMBL5653701 0.83 DRD3 (0.58) TSHRUSP2ALDH1A1SMN1; SMN2
SCHEMBL5652205 0.80 GAA (0.44) TSHRHTTHSD17B10KDM4EALDH1A1
SCHEMBL5647370 0.76 POLB (0.51) POLBCYP2C9CYP2D6MAPK14EGLN1
SCHEMBL5653340 0.76 POLB (0.52) POLBCYP2C9CYP2D6MAPK14TSHR
SCHEMBL5653349 0.76 MAPK14 (0.53) POLBCYP2C9CYP2D6MAPK14TSHR
SCHEMBL2739971 0.75 POLB (0.69) POLBCYP2C9CYP2D6MAPK14TSHR
SCHEMBL5651622 0.75 TNKS2 (0.52) POLBCYP2C9CYP2D6MAPK14TSHR
SCHEMBL5654035 0.75 CYP2D6 (0.53) POLBCYP2C9CYP2D6MAPK14TSHR
SCHEMBL5654047 0.74 MAPK14 (0.51) POLBCYP2C9CYP2D6MAPK14TSHR

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 POLB 2161/4885CYP2C9 3314/4885CYP2D6 3252/4885

“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.