SCHEMBL27116715

SCHEMBL27116715

CC(C)(C)NCC(=O)N1CCN(c2ccc(CNC(=N)N)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HTT P42858 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MAPT P10636 7/20 0.44
▸ LMNA P02545 4/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ TP53 P04637 1/20 0.42
▸ GFER P55789 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ GAA P10253 4/20 0.41
▸ ALOX15 P16050 3/20 0.41
▸ ALOX12 P18054 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL27114133 0.87 ITGB3 (0.43) SMN1; SMN2KMT2AMEN1CYP2C19HTT
SCHEMBL27114056 0.85 MAPT (0.51) KMT2AMEN1CYP2C19MAPTTP53
SCHEMBL27114960 0.84 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1CYP2C19HTT
SCHEMBL27114134 0.83 TP53 (0.47) SMN1; SMN2KMT2AMEN1CYP2C19HTT
SCHEMBL27114132 0.78 F2 (0.41) SMN1; SMN2KMT2AMEN1CYP2C19HTT
SCHEMBL27114959 0.74 DRD4 (0.48) POLBCA1CA2CA7CA9
SCHEMBL27116714 0.73 F2 (0.41) KMT2AMEN1HTTMAPTLMNA
SCHEMBL27113884 0.73 ALDH1A1 (0.42) KMT2AMEN1LMNAALDH1A1CA1
SCHEMBL27113497 0.72 EPHX2 (0.41) CYP2C19HTTCA1CA2CA7
SCHEMBL24891910 0.72 MAPT (0.53) SMN1; SMN2KMT2AMEN1CYP2C19MAPT

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-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SUPERTRANS MEDICAL LTD (IL) 2024-02-29 — — 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-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SLC7A1, ABCB11, SLC1A5 SMN1; SMN2 4664/4885KMT2A 3532/4885MEN1 2205/4885

“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.

Send feedback