SCHEMBL2997545

SCHEMBL2997545

CN1CCC(Oc2ncc(I)nc2C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRM3 P20309 3/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
EGFR P00533 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
SCN1A P35498 2/20 0.36
SCN2A Q99250 2/20 0.36
SCN3A Q9NY46 2/20 0.36

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
Hydrochloric Acid SCHEMBL3007185 0.79 EGFR (0.41) EGFRCLK2CLK3GSK3BDYRK1A
SCHEMBL1505533 0.73 KMT2A (0.42) MEN1KMT2AALDH1A1SCN1ASCN2A
SCHEMBL25029208 0.70 PIK3CD (0.43)
SCHEMBL30292528 0.69 KDM4E (0.55) MEN1KMT2AKDM4ENPY1RNPY2R
SCHEMBL22582826 0.68 SMN1; SMN2 (0.47) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3350976 0.67 OPRK1 (0.42) CHRM3CHRM4CHRM5CHRM1
SCHEMBL16175423 0.66 SSTR4 (0.41) LRRK2EGFRNSD2
SCHEMBL21465798 0.65 SSTR4 (0.48) KDM4ECLK2CLK3GSK3BDYRK1A
Calcium SCHEMBL30481734 0.64 ALDH1A1 (0.40) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL29054943 0.64 ALDH1A1 (0.40) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1

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-20100190980-A1 PYRAZINAMIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2010-07-29 US disclosed
EP-2157090-A1 PYRAZINAMIDE COMPOUND Taisho Pharmaceutical Co. Ltd. (JP) 2010-02-24 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-20100190980-A1 PYRAZINAMIDE COMPOUND KAT8, GK, KCNJ8 LRRK2 329/4885MEN1 2088/4885KMT2A 539/4885

“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.