SCHEMBL5307016

SCHEMBL5307016

Cn1c(=O)cc(Nc2ccc(Cl)cc2)[nH]c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 1.00
KMT2A Q03164 1/20 1.00
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.47
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.43
NR1I2 O75469 1/20 0.43
HPGD P15428 1/20 0.43
AHR P35869 1/20 0.43

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
SCHEMBL5251305 0.87 MEN1 (0.77) MEN1KMT2ASMN1; SMN2HTTTP53
SCHEMBL2632919 0.73 MEN1 (0.57) MEN1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL2070591 0.72 MEN1 (0.56) MEN1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL11243798 0.70 KMT2A (0.54) MEN1KMT2ASMN1; SMN2HTTLMNA
Methane SCHEMBL11401135 0.70 MEN1 (0.54) MEN1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL5309531 0.69 TP53 (0.63) HTTTP53
SCHEMBL2625570 0.69 SMN1; SMN2 (0.65) MEN1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL16480329 0.69 SMN1; SMN2 (0.59) MEN1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL220198 0.69 KMT2A (0.51) MEN1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL3285589 0.69 MEN1 (0.52) MEN1KMT2AHTTLMNA

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
EP-1853276-A2 COMPOUNDS INHIBITING THE AGGREGATION OF SUPEROXIDE DISMUTASE-1 The Brighamn and Women's Hospital, Inc. (US) 2007-11-14 EP claimed
US-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-31 US claimed
WO-2006089221-A2 COMPOUNDS INHIBITING THE AGGREGATION OF SUPEROXIDE DISMUTASE-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-24 WO claimed
US-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-31 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 (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-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 SOD1, SOD3, CAT MEN1 4454/4885KMT2A 4043/4885SMN1; SMN2 8/4885

“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.