SCHEMBL5849062

SCHEMBL5849062

O=S(=O)(c1ccc(Oc2cncc(C=CC3CCCN3)c2)cc1)N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
AKT1 P31749 1/20 0.39
HTT P42858 3/20 0.39
TSHR P16473 3/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL5849534 1.00 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1LMNAAKT1HTT
SCHEMBL5849069 1.00 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1LMNAAKT1HTT
SCHEMBL5850636 0.80 AKT1 (0.45) AKT1KMT2AMEN1
SCHEMBL5849340 0.80 AKT1 (0.45) AKT1KMT2AMEN1
SCHEMBL5849329 0.80 AKT1 (0.45) AKT1KMT2AMEN1
SCHEMBL5848620 0.80 AKT1 (0.45) AKT1KMT2AMEN1
SCHEMBL5848605 0.80 AKT1 (0.45) AKT1KMT2AMEN1
SCHEMBL5850489 0.80 AKT1 (0.45) AKT1KMT2AMEN1
SCHEMBL5851082 0.78 AKT1 (0.39) AKT1
SCHEMBL5850550 0.78 AKT1 (0.39) AKT1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101896-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2006-09-05 US disclosed
US-20050267111-A1 Pharmaceutical compositions and methods for use DULL GARY M 2005-12-01 US disclosed
US-6890935-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2005-05-10 US disclosed
WO-2002088114-A2 HETEROARYL OFEFINIC AZACYCLIC AND HETEROARYL ACETYLENIC AZACYCLIC COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS TARGACEPT, INC. (US) 2002-11-07 WO disclosed
US-20020058652-A1 Pharmaceutical compositions and methods for use TARGACEPT, INC. 2002-05-16 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 (2 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-20050267111-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 SMN1; SMN2 4604/4885ALDH1A1 292/4885LMNA 1971/4885
US-20020058652-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 SMN1; SMN2 4604/4885ALDH1A1 292/4885LMNA 1971/4885

“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.