SCHEMBL14740400

SCHEMBL14740400

O=[N+]([O-])c1ccc(OCC(O)CNCc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.53
ADRB2 P07550 4/20 0.52
ADRB1 P08588 3/20 0.52
ADRB3 P13945 1/20 0.48

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
SCHEMBL2605637 0.86 ADRB2 (0.61) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL14750964 0.82 MAPT (0.51) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19196175 0.80 LMNA (0.63) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19181215 0.80 LMNA (0.63) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL16360835 0.80 GAA (0.49) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1040562 0.80 MAPT (0.76) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6479296 0.78 ADRB3 (0.53) MAPTALDH1A1POLBADRB2ADRB1
SCHEMBL2554466 0.76 ALDH1A1 (0.58) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL27940296 0.74 MAPT (0.67) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL12266461 0.73 KMT2A (0.71) MEN1KMT2AALDH1A1ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145398-B2 Methods of treating CXCR4-expressing cancers UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2015-09-29 US disclosed
US-9145398-B2 Methods of treating CXCR4-expressing cancers UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2015-09-29 US disclosed
US-20140303170-A1 COMPOUNDS FOR TREATING DISEASE, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2014-10-09 US disclosed
US-20140303170-A1 COMPOUNDS FOR TREATING DISEASE, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2014-10-09 US disclosed
US-8785490-B2 Compounds for treating disease, for administering, and for pharmaceutical compositions UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2014-07-22 US disclosed
US-8785490-B2 Compounds for treating disease, for administering, and for pharmaceutical compositions UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2014-07-22 US disclosed
US-20130059852-A1 COMPOUNDS FOR TREATING DISEASE, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2013-03-07 US disclosed
US-20130059852-A1 COMPOUNDS FOR TREATING DISEASE, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2013-03-07 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-20130059852-A1 COMPOUNDS FOR TREATING DISEASE, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS PKD1, PCSK9, SLC10A1 MAPT 443/4885SMN1; SMN2 73/4885MEN1 56/4885
US-20140303170-A1 COMPOUNDS FOR TREATING DISEASE, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS PKD1, PCSK9, SLC10A1 MAPT 443/4885SMN1; SMN2 73/4885MEN1 56/4885

“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.