SCHEMBL2158933

SCHEMBL2158933

O=C(NCC1CCCCO1)N1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
LMNA P02545 1/20 0.58
HPGD P15428 6/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.54
USP2 O75604 1/20 0.54
TP53 P04637 1/20 0.53
ALOX12 P18054 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PKM P14618 1/20 0.49

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
Hydrochloric Acid SCHEMBL21640494 0.94 USP2 (0.54) KDM4EALDH1A1LMNAHPGDHTT
SCHEMBL8394609 0.76 HRH3 (0.56) KDM4EHTTSMN1; SMN2KMT2A
SCHEMBL8397665 0.76 HRH3 (0.56) KDM4EHTTSMN1; SMN2KMT2A
SCHEMBL8393806 0.76 HRH3 (0.56) KDM4EHTTSMN1; SMN2KMT2A
SCHEMBL3249887 0.76 HRH3 (0.56) KDM4EHTTSMN1; SMN2KMT2A
SCHEMBL8392658 0.76 HRH3 (0.56) KDM4EHTTSMN1; SMN2KMT2A
SCHEMBL24575950 0.76 HPGD (0.72) LMNAHPGDHTTSMN1; SMN2USP2
SCHEMBL15492723 0.75 SMN1; SMN2 (0.57) LMNAHPGDHTTSMN1; SMN2USP2
SCHEMBL6061649 0.74 SMN1; SMN2 (0.66) KDM4ELMNAHPGDHTTSMN1; SMN2
SCHEMBL8392252 0.74 TPSAB1 (0.54) KDM4EALDH1A1HTTKMT2A

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-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2011-07-28 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-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS SHH, SMO, GLI1 KDM4E 2888/4885ALDH1A1 663/4885LMNA 4797/4885

“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.