SCHEMBL1983006

SCHEMBL1983006

COCCn1ccc2cc(Br)cc([N+](=O)[O-])c21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
VCAM1 P19320 1/20 0.33
HCAR3 P49019 1/20 0.33
RAB9A P51151 1/20 0.33
GLO1 Q04760 1/20 0.33
KDM4E B2RXH2 1/20 0.33
S100A4 P26447 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
ABCB1 P08183 1/20 0.32
ABCC1 P33527 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR35 Q9HC97 2/20 0.32
HTR7 P34969 1/20 0.32

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
SCHEMBL1987876 0.80 HTR2A (0.39) LMNAALDH1A1KDM4ES100A4TRPV1
SCHEMBL1982128 0.79 GAA (0.39) LMNAALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL31677532 0.77 MITF (0.46) LMNAALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL1197883 0.74 LMNA (0.39) LMNAALDH1A1SMN1; SMN2MAPTVCAM1
SCHEMBL20939845 0.72 GLO1 (0.39) LMNAALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL31607335 0.71 GPR35 (0.39) LMNAALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL3352870 0.70 HTR7 (0.58) LMNAALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL30672858 0.70 PLG (0.46) GLO1KMT2AHTR7
SCHEMBL2124040 0.70 PLG (0.46) GLO1KMT2AHTR7
SCHEMBL2973652 0.70 EPHX2 (0.40) LMNAALDH1A1SMN1; SMN2MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201815-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-18 US disclosed
EP-2338887-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2011-06-29 EP 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-20110201815-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, PON1, CBR1 LMNA 463/4885ALDH1A1 375/4885SMN1; SMN2 2754/4885

“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.