SCHEMBL5049960

SCHEMBL5049960

CC(C)(C)OC(=O)NC1(C(=O)NC(=O)Nc2cccs2)CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 17/20 0.43
MEN1 O00255 12/20 0.43
KMT2A Q03164 12/20 0.43
HSD17B10 Q99714 11/20 0.43
ALDH1A1 P00352 11/20 0.41
ALOX15 P16050 9/20 0.41
RAB9A P51151 8/20 0.41
TP53 P04637 6/20 0.41
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
PKM P14618 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 10/20 0.41
HPGD P15428 4/20 0.41
GFER P55789 4/20 0.41
HTT P42858 5/20 0.39
USP2 O75604 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 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
SCHEMBL5048583 0.82 GAA (0.47) GAAMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL8174947 0.81 FAAH (0.51) ALDH1A1HPGDUSP2POLBKDM4E
SCHEMBL399012 0.78 GAA (0.50) GAAMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL8174534 0.76 TSHR (0.46) GAAMEN1KMT2AALDH1A1RAB9A
SCHEMBL25384603 0.73 FAAH (0.62) ALDH1A1HPGDPOLBKDM4E
SCHEMBL5049959 0.73 BCL2 (0.40) KMT2AALDH1A1HTTCYP2C9CYP2C19
SCHEMBL5049958 0.70 GHSR (0.35) ALDH1A1SMN1; SMN2MAPT
SCHEMBL8348221 0.69 FAAH (0.46) GAAKMT2AALDH1A1SMN1; SMN2PKM
SCHEMBL16512497 0.69 FAAH (0.51)
SCHEMBL2934983 0.69 FAAH (0.46) POLB

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-20080207528-A1 Administering derivatives of 4-(3-pyrrolidinyloxy)quinoline TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-08-28 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-20080207528-A1 Administering derivatives of 4-(3-pyrrolidinyloxy)quinoline GLS2, SLC10A1, UGT1A1 GAA 846/4885MEN1 2832/4885KMT2A 3331/4885

“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.