SCHEMBL22639760

SCHEMBL22639760

O=C(NCC1(O)CCCC1)c1cnccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
ALOX15 P16050 1/20 0.49
KDM4E B2RXH2 1/20 0.49
CNR2 P34972 3/20 0.48
CYP1A2 P05177 2/20 0.48
HPGD P15428 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2C9 P11712 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP3A4 P08684 1/20 0.46
LMNA P02545 1/20 0.46
PABPC1 P11940 1/20 0.46
MAPT P10636 1/20 0.45
SLC6A2 P23975 1/20 0.44

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
SCHEMBL22639782 0.79 P2RX7 (0.59) SMN1; SMN2KDM4ECNR2MEN1ALDH1A1
SCHEMBL8726980 0.74 THRB (0.57) SMN1; SMN2RAB9ANPC1KDM4ECYP1A2
SCHEMBL22639990 0.74 KDM4E (0.53) SMN1; SMN2RAB9ANPC1ALOX15KDM4E
SCHEMBL22639969 0.74 KDM4E (0.53) SMN1; SMN2RAB9ANPC1ALOX15KDM4E
SCHEMBL6360168 0.73 KDM4E (0.77) SMN1; SMN2RAB9ANPC1ALOX15KDM4E
SCHEMBL30761563 0.73 KMT2A (0.55) SMN1; SMN2ALOX15KDM4EMEN1ALDH1A1
SCHEMBL21436913 0.73 KMT2A (0.55) SMN1; SMN2ALOX15KDM4EMEN1ALDH1A1
SCHEMBL10668907 0.73 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ANPC1KDM4ECYP1A2
SCHEMBL509136 0.73 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ANPC1ALOX15KDM4E
SCHEMBL10671618 0.73 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ANPC1KDM4ECYP1A2

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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-11-10 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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect VIM, MATR3, TP53 SMN1; SMN2 2515/4885RAB9A 2614/4885NPC1 475/4885

“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.