SCHEMBL5653630

SCHEMBL5653630

O=C(NN1CCCCC1)c1ccc(-c2nc3cc(Cl)c(F)cc3[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRSS12 P56730 10/20 0.54
RHEB Q15382 1/20 0.50
KDR P35968 1/20 0.49
HDAC6 Q9UBN7 2/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.47
CHEK2 O96017 3/20 0.46
CCR2 P41597 1/20 0.43

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
SCHEMBL5650704 0.92 PRSS12 (0.62) PRSS12RHEBHDAC6CCR2
SCHEMBL5651532 0.88 KDR (0.43) PRSS12RHEBKDRHDAC6
SCHEMBL5651985 0.88 PRSS12 (0.54) PRSS12RHEBHDAC6PTGDR2CHEK2
SCHEMBL5652794 0.85 PRSS12 (0.41) PRSS12RHEBKDRHDAC6
SCHEMBL5650474 0.85 CNR1 (0.41) PRSS12RHEBKDRPTGDR2
SCHEMBL5651534 0.84 HTT (0.52) PRSS12HDAC6CHEK2
SCHEMBL5651818 0.83 FOXO1 (0.42) PRSS12RHEBKDRHDAC6
SCHEMBL5650995 0.83 PRSS12 (0.47) PRSS12RHEBKDRHDAC6
SCHEMBL5653176 0.81 HDAC6 (0.39) PRSS12HDAC6PTGDR2
SCHEMBL5652578 0.81 SIRT2 (0.42) PRSS12RHEBPTGDR2

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 PRSS12 979/4885RHEB 946/4885KDR 2994/4885

“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.