SCHEMBL26554385

SCHEMBL26554385

CCCCCCCCCCc1cccc2oc(NCCNC(=O)OC(C)(C)C)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
LMNA P02545 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
BCHE P06276 1/20 0.41
NQO2 P16083 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
MALT1 Q9UDY8 1/20 0.38
DRD2 P14416 1/20 0.37
HTT P42858 1/20 0.37
GAA P10253 2/20 0.37
POLB P06746 1/20 0.37
STK17B O94768 1/20 0.37
STK17A Q9UEE5 1/20 0.37

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
SCHEMBL29437053 1.00 TSHR (0.42) TSHRLMNAMEN1KMT2ABCHE
SCHEMBL29437063 0.95 TSHR (0.43) TSHRLMNAMEN1KMT2ANQO2
SCHEMBL26554386 0.95 TSHR (0.43) TSHRLMNAMEN1KMT2ANQO2
SCHEMBL25402433 0.86 ELANE (0.42) LMNAMEN1KMT2AHPGDALDH1A1
SCHEMBL26554382 0.85 MTNR1A (0.48) BCHEELANE
SCHEMBL29437064 0.85 MTNR1A (0.48) BCHEELANE
SCHEMBL25401782 0.81 ELANE (0.44) ELANE
SCHEMBL29437093 0.81 BCHE (0.46) LMNABCHENQO2NPSR1MAPT
SCHEMBL26554322 0.81 BCHE (0.46) LMNABCHENQO2NPSR1MAPT
SCHEMBL29437088 0.80 MTNR1A (0.50) ELANE

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-20230331683-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2023-10-19 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-20230331683-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY SPNS2, SPCS2, SMN1; SMN2 TSHR 3498/4885LMNA 2726/4885MEN1 3339/4885

“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.