SCHEMBL7559665

SCHEMBL7559665

[NH]Cc1ccccc1Sc1ccccc1CO

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.59
SLC6A4 P31645 8/20 0.49
SLC6A2 P23975 5/20 0.44
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
LDHA P00338 1/20 0.40
P4HB P07237 1/20 0.39
SLC6A3 Q01959 2/20 0.39
IFNAR1 P17181 1/20 0.39
MAPT P10636 1/20 0.36
RAD52 P43351 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2A6 P11509 1/20 0.35

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
SCHEMBL4442278 0.89 APOBEC3G (0.73) APOBEC3GSLC6A4SLC6A2LMNAALDH1A1
Bipenamol SCHEMBL636892 0.82 APOBEC3G (0.57) APOBEC3GSLC6A4SLC6A2LMNAALDH1A1
Bipenamol SCHEMBL30791275 0.82 APOBEC3G (0.57) APOBEC3GSLC6A4SLC6A2LMNAALDH1A1
SCHEMBL4448364 0.79 APOBEC3G (0.59) APOBEC3GSLC6A4SLC6A2LMNAALDH1A1
SCHEMBL73812 0.79 APOBEC3G (0.59) APOBEC3GSLC6A4SLC6A2LMNAALDH1A1
Bipenamol SCHEMBL91233 0.79 APOBEC3G (0.59) APOBEC3GSLC6A4SLC6A2LDHASLC6A3
Bipenamol SCHEMBL29444593 0.79 APOBEC3G (0.59) APOBEC3GSLC6A4SLC6A2LDHASLC6A3
SCHEMBL13579946 0.78 APOBEC3G (0.57) APOBEC3GSLC6A4SLC6A2LMNAALDH1A1
SCHEMBL4677501 0.78 APOBEC3G (0.57) APOBEC3GSLC6A4SLC6A2LMNAALDH1A1
SCHEMBL8531557 0.78 SLC6A4 (0.61) APOBEC3GSLC6A4SLC6A2SLC6A3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DISCOVERY PARTNERS INTERNATIONAL, INC. 2002-05-16 US claimed
US-20020103381-A1 Method for the synthesis of pyrazolines CHEMRX ADVANCED TECHNOLOGIES, INC. 2002-08-01 US disclosed
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DISCOVERY PARTNERS INTERNATIONAL, INC. 2002-05-16 US disclosed
WO-2001040193-A1 METHOD FOR THE SYNTHESIS OF PYRAZOLINES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-06-07 WO 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-20020103381-A1 Method for the synthesis of pyrazolines CYP2F1, CYP2E1, CYP3A7 APOBEC3G 3248/4885SLC6A4 2474/4885SLC6A2 3462/4885
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DNPEP, LNPEP, NPEPPS APOBEC3G 387/4885SLC6A4 2007/4885SLC6A2 2283/4885

“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.