SCHEMBL3208873

SCHEMBL3208873

COc1ccc(CCNC(=O)c2cc(Br)cs2)cc1Br

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.72
NAMPT P43490 4/20 0.55
LMNA P02545 1/20 0.55
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.48
GAA P10253 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CA12 O43570 1/20 0.47

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
SCHEMBL13486634 0.86 HRH3 (0.79) HRH3
SCHEMBL3208630 0.86 HRH3 (0.69) HRH3NAMPTLMNA
SCHEMBL13486632 0.84 HRH3 (0.70) HRH3
SCHEMBL3198787 0.84 HRH3 (1.00) HRH3
SCHEMBL3202814 0.83 HRH3 (1.00) HRH3
SCHEMBL3203607 0.83 HRH3 (0.61) HRH3LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL3996984 0.79 SMN1; SMN2 (0.59) LMNAALDH1A1SMN1; SMN2MAPTCA1
SCHEMBL3780865 0.79 HDAC1 (0.59) ALDH1A1SMN1; SMN2MAPTCA1CA2
SCHEMBL15319511 0.79 CA12 (0.56) ALDH1A1SMN1; SMN2MAPTCA1CA2
SCHEMBL3204557 0.79 HRH3 (1.00) HRH3

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-20100035929-A1 UNNATURAL DISPYRIN ANALOGUES, PREPARATION AND USES THEREOF VANDERBILT UNIVERSITY 2010-02-11 US disclosed
US-20100035929-A1 UNNATURAL DISPYRIN ANALOGUES, PREPARATION AND USES THEREOF VANDERBILT UNIVERSITY 2010-02-11 US disclosed
US-20100035929-A1 UNNATURAL DISPYRIN ANALOGUES, PREPARATION AND USES THEREOF VANDERBILT UNIVERSITY 2010-02-11 US disclosed
WO-2009152071-A1 UNNATURAL DISPYRIN ANALOGUES, PREPARATION AND USES THEREOF VANDERBILT UNIVERSITY (US) 2009-12-17 WO disclosed
WO-2009152071-A1 UNNATURAL DISPYRIN ANALOGUES, PREPARATION AND USES THEREOF VANDERBILT UNIVERSITY (US) 2009-12-17 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 (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-20100035929-A1 UNNATURAL DISPYRIN ANALOGUES, PREPARATION AND USES THEREOF HRH3, HRH4, HRH1 HRH3 1/4885NAMPT 1783/4885LMNA 4724/4885

“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.