SCHEMBL4104434

SCHEMBL4104434

CCOC(=O)C(Br)=NNc1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
KYAT1 Q16773 6/20 0.61
ALDH1A1 P00352 5/20 0.58
LMNA P02545 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MAPT P10636 3/20 0.58
NPSR1 Q6W5P4 3/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
GAA P10253 4/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALOX12 P18054 1/20 0.53
HTT P42858 3/20 0.49
HPGD P15428 3/20 0.49
ATM Q13315 1/20 0.48
ABCB1 P08183 1/20 0.46

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
SCHEMBL10479460 0.87 KYAT1 (0.62) MEN1KMT2AKYAT1ALDH1A1LMNA
SCHEMBL13664219 0.85 MAPT (0.57) MEN1KMT2AKYAT1ALDH1A1LMNA
SCHEMBL10479779 0.85 MAPT (0.57) MEN1KMT2AKYAT1ALDH1A1LMNA
SCHEMBL10479594 0.85 MAPT (0.57) MEN1KMT2AKYAT1ALDH1A1LMNA
SCHEMBL3560757 0.85 MEN1 (0.65) MEN1KMT2AKYAT1ALDH1A1LMNA
SCHEMBL13664158 0.85 GAA (0.62) MEN1KMT2AKYAT1ALDH1A1LMNA
SCHEMBL16361794 0.85 MEN1 (0.65) MEN1KMT2AKYAT1ALDH1A1LMNA
SCHEMBL10479609 0.85 GAA (0.62) MEN1KMT2AKYAT1ALDH1A1LMNA
SCHEMBL3560755 0.85 MEN1 (0.65) MEN1KMT2AKYAT1ALDH1A1LMNA
SCHEMBL10479612 0.85 GAA (0.62) MEN1KMT2AKYAT1ALDH1A1LMNA

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-8546452-B2 S1P3 receptor antagonist TOA EIYO LTD. (JP) 2013-10-01 US disclosed
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2009-07-02 US disclosed
US-4851425-A Cyclopentapyrazole and tetrahydroindazole compounds and their use as anti-inflammatory and anti-allergic agents THE UPJOHN COMPANY (US) 1989-07-25 US disclosed
WO-1986007357-A3 CYCLOPENTAPYRAZOLE AND TETRAHYDROINDAZOLE COMPOUNDS THE UPJOHN COMPANY (US) 1987-04-23 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-20090170895-A1 S1P3 RECEPTOR ANTAGONIST S1PR3, S1PR5, GPR3 MEN1 1287/4885KMT2A 2082/4885KYAT1 4251/4885

“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.