SCHEMBL25401384

SCHEMBL25401384

O=C(O)NCCCC(=O)Nc1cc(Br)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 2/20 0.52
POLB P06746 2/20 0.48
HDAC1 Q13547 3/20 0.46
HDAC3 O15379 3/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 1/20 0.45
MEN1 O00255 2/20 0.44
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
ALOX15 P16050 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
HDAC4 P56524 1/20 0.42
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 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
SCHEMBL25401616 0.95 HDAC3 (0.53) GAATDP1KDM4EPOLBHDAC1
SCHEMBL25401909 0.92 GAA (0.50) GAATDP1KDM4EPOLBHDAC1
SCHEMBL25403820 0.89 TDP1 (0.52) GAATDP1KDM4EPOLBHDAC1
SCHEMBL29437037 0.81 CA1 (0.55) GAATDP1KDM4EPOLBHDAC1
SCHEMBL26554142 0.81 CA1 (0.55) GAATDP1KDM4EPOLBHDAC1
SCHEMBL25401374 0.80 TDP1 (0.48) GAATDP1KDM4EPOLBHDAC1
SCHEMBL22042930 0.77 POLB (0.50) TDP1KDM4EPOLBHDAC1KMT2A
SCHEMBL30612623 0.77 POLB (0.50) TDP1KDM4EPOLBHDAC1KMT2A
SCHEMBL29437040 0.77 CA1 (0.50) GAATDP1KDM4EHDAC1HDAC3
SCHEMBL26554144 0.77 CA1 (0.50) GAATDP1KDM4EHDAC1HDAC3

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-20230331683-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2023-10-19 US disclosed
EP-4211111-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY University of Virginia Patent Foundation (US) 2023-07-19 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-20230331683-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY SPNS2, SPCS2, SMN1; SMN2 GAA 3595/4885TDP1 1197/4885KDM4E 4364/4885

“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.