SCHEMBL3334264

SCHEMBL3334264

NNc1nnc(-c2ccccc2)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA4 P22748 1/20 0.61
CA5A P35218 1/20 0.61
CA5B Q9Y2D0 1/20 0.61
NPC1 O15118 8/20 0.53
RAB9A P51151 6/20 0.53
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KDM4E B2RXH2 2/20 0.49
ACHE P22303 1/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
HDAC6 Q9UBN7 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
SCHEMBL3829149 0.80 SMN1; SMN2 (0.51) CA1CA2CA4CA5ACA5B
SCHEMBL3825832 0.80 KDM4E (0.61) CA1CA2CA4CA5ACA5B
SCHEMBL9018567 0.79 ALDH1A1 (0.61) CA1CA2CA4CA5ACA5B
SCHEMBL9209215 0.79 KDM4E (0.69) CA1CA2CA4CA5ACA5B
SCHEMBL12015939 0.78 NPC1 (0.73) CA1CA2CA4CA5ACA5B
SCHEMBL2213286 0.77 ALDH1A1 (0.59) CA1CA2CA4CA5ACA5B
SCHEMBL2380291 0.76 NPC1 (0.58) CA1CA2CA4CA5ACA5B
SCHEMBL22761303 0.76 KDM4E (0.73) CA1CA2CA4CA5ACA5B
SCHEMBL20214047 0.76 HDAC1 (0.51) NPC1RAB9AKDM4EPTGS1PTGS2
SCHEMBL17948201 0.75 ALDH1A1 (0.57) CA1CA2CA4CA5ACA5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020247819-A2 METHODS OF TREATMENT WITH AMINOLEVULINIC ACID SYNTHASE 2 (ALAS2) MODULATORS AGIOS PHARMACEUTICALS, INC. (US) 2020-12-10 WO disclosed
WO-2014126580-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-08-21 WO disclosed
WO-2013106254-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-07-18 WO disclosed
US-8257931-B2 Regulation of protein synthesis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-09-04 US disclosed
US-8257931-B2 Regulation of protein synthesis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-09-04 US disclosed
US-20100144805-A1 Regulation of protein synthesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-06-10 US disclosed
US-20100144805-A1 Regulation of protein synthesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-06-10 US disclosed
EP-1868604-A2 REGULATION OF PROTEIN SYNTHESIS BY INHIBITION OF EIF4E-EIF4G INTERACTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-12-26 EP disclosed
WO-2006078942-A2 REGULATION OF PROTEIN SYNTHESIS BY INHIBITION OF EIF4E-EIF4G INTERACTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-07-27 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-20100144805-A1 Regulation of protein synthesis EIF4EBP1, RNMT, NCBP1 CA1 4136/4885CA2 4197/4885CA4 4293/4885

“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.