SCHEMBL14629393

SCHEMBL14629393

O=C1[C@H](c2ccccc2)N2C(=O)CN(CF)N(C(=O)NCc3ccccc3)[C@H]2CN1C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CYP3A4 P08684 4/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ XIAP P98170 1/20 0.36

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
SCHEMBL14629374 0.95 ALDH1A1 (0.45) LMNAHTTSMN1; SMN2GAATP53
SCHEMBL12036614 0.91 LMNA (0.46) LMNAHTTSMN1; SMN2HRH3GAA
SCHEMBL745759 0.89 LMNA (0.44) LMNAHTTSMN1; SMN2HRH3GAA
SCHEMBL747148 0.88 LMNA (0.46) LMNAHTTSMN1; SMN2HRH3GAA
SCHEMBL747948 0.88 LMNA (0.46) LMNAHTTSMN1; SMN2HRH3GAA
SCHEMBL14620327 0.88 ALDH1A1 (0.46) LMNAHTTSMN1; SMN2GAATP53
SCHEMBL13708749 0.87 LMNA (0.47) LMNAHTTSMN1; SMN2HRH3GAA
SCHEMBL747655 0.87 LMNA (0.47) LMNAHTTSMN1; SMN2HRH3GAA
SCHEMBL14620382 0.85 LMNA (0.44) LMNAHTTSMN1; SMN2HRH3GAA
SCHEMBL748060 0.84 ALDH1A1 (0.46) LMNAHTTSMN1; SMN2GAATP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021425-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-01-25 — — 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-20070021425-A1 Reverse-turn mimetics and method relating thereto WNT1, APC, WNT3 LMNA 2967/4885HTT 622/4885SMN1; SMN2 4611/4885

“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.

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