SCHEMBL21168191

SCHEMBL21168191

N=C(N)NCCCCC(=O)N1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.39
CYP1A2 P05177 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
TGM2 P21980 1/20 0.39

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
SCHEMBL12284392 0.87 PRMT1 (0.44) ATMSMN1; SMN2ALDH1A1ITGB3ITGA2B
SCHEMBL27336659 0.84 GNAI3 (0.41) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL14980274 0.84 GNAI3 (0.44) L3MBTL1MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL1775928 0.84 GNAI3 (0.42) ATMMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL15355591 0.81 GNAI3 (0.41) L3MBTL1MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL12283544 0.81 ALDH1A1 (0.51) L3MBTL1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL19464837 0.81 HRH3 (0.42) L3MBTL1MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL1775192 0.81 ATM (0.39) ATMITGB3ITGA2B
SCHEMBL22620788 0.80 GNAI3 (0.40) L3MBTL1MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL20032529 0.79 GNAI3 (0.40) ATML3MBTL1MEN1KMT2ATDP1

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-20210395309-A1 PEPTIDE-DRUG CONJUGATES HONG KONG BAPTIST UNIVERSITY (CN) 2021-12-23 US disclosed
EP-3247405-B1 SYNTHETIC APELIN FATTY ACID CONJUGATES WITH IMPROVED HALF-LIFE NOVARTIS AG (CH) 2019-07-17 EP 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-20210395309-A1 PEPTIDE-DRUG CONJUGATES BDKRB1, VIP, BDKRB2 ATM 3299/4885L3MBTL1 2893/4885MEN1 139/4885

“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.