SCHEMBL14620316

SCHEMBL14620316

C[C@H]1C(=O)N(C2CCCC2)C[C@H]2N1C(=O)CN(C)N2C(=O)NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.43
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CACNA1G O43497 3/20 0.39
▸ CACNA1H O95180 3/20 0.39
▸ CACNA1I Q9P0X4 3/20 0.39
▸ GAA P10253 1/20 0.38
▸ XIAP P98170 1/20 0.38
▸ TCF4 P15884 1/20 0.38
▸ CTNNB1 P35222 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ FKBP1A P62942 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL747948 0.89 LMNA (0.46) LMNAHTTSMN1; SMN2HRH3KMT2A
SCHEMBL744992 0.89 LMNA (0.46) LMNAHTTSMN1; SMN2HRH3TCF4
SCHEMBL744990 0.88 LMNA (0.45) LMNAHTTSMN1; SMN2HRH3KMT2A
SCHEMBL747655 0.88 LMNA (0.47) LMNAHTTSMN1; SMN2HRH3KMT2A
SCHEMBL746320 0.88 LMNA (0.47) LMNAHTTSMN1; SMN2HRH3TCF4
SCHEMBL13708749 0.88 LMNA (0.47) LMNAHTTSMN1; SMN2HRH3KMT2A
SCHEMBL746537 0.88 LMNA (0.45) LMNAHTTSMN1; SMN2HRH3KMT2A
SCHEMBL746317 0.87 LMNA (0.46) LMNAHTTSMN1; SMN2HRH3KMT2A
SCHEMBL747720 0.87 LMNA (0.46) LMNAHTTSMN1; SMN2HRH3KMT2A
SCHEMBL749011 0.87 LMNA (0.44) LMNAHTTSMN1; SMN2HRH3KMT2A

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-20070043052-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-02-22 — — 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-20070043052-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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