SCHEMBL12648540

SCHEMBL12648540

O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(O)c(Br)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.67
▸ MCL1 Q07820 1/20 0.67
▸ MEN1 O00255 13/20 0.65
▸ KMT2A Q03164 13/20 0.65
▸ KDM4E B2RXH2 6/20 0.65
▸ ALDH1A1 P00352 3/20 0.63
▸ NPC1 O15118 2/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ LMNA P02545 2/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ MAPK1 P28482 1/20 0.56
▸ ERCC1 P07992 1/20 0.55
▸ ERCC4 Q92889 1/20 0.55
▸ IDO1 P14902 1/20 0.53
▸ POLB P06746 2/20 0.53

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
SCHEMBL14082234 0.89 MAPT (0.67) MAPTMCL1MEN1KMT2AKDM4E
SCHEMBL12648526 0.89 MAPT (0.66) MAPTMCL1MEN1KMT2AKDM4E
SCHEMBL14082221 0.86 MAPT (0.66) MAPTMCL1MEN1KMT2AKDM4E
SCHEMBL12648531 0.81 CFTR (0.69) MAPTMCL1MEN1KMT2AKDM4E
SCHEMBL14082218 0.78 MEN1 (0.60) MAPTMCL1MEN1KMT2AKDM4E
SCHEMBL17080646 0.76 KMT2A (0.69) MAPTMCL1MEN1KMT2AKDM4E
SCHEMBL15678763 0.75 MAPT (0.67) MAPTMCL1MEN1KMT2AKDM4E
SCHEMBL18714790 0.75 HIF1A (0.72) MAPTALDH1A1LMNAPOLB
SCHEMBL14082172 0.74 MAPT (0.53) MAPTMCL1MEN1KMT2AKDM4E
SCHEMBL18746410 0.73 MEN1 (0.62) MAPTMCL1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110119775-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-19 — — US disclosed
US-7888332-B2 Hydrazide-containing CFTR inhibitor compounds and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-02-15 — — US disclosed
US-7888332-B2 Hydrazide-containing CFTR inhibitor compounds and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-02-15 — — US disclosed
US-20090048207-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-02-19 — — US disclosed
US-20090048207-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-02-19 — — US disclosed
US-7414037-B2 cystic fibrosis transmembrane conductance regulator protein inhibitor; 2-naphthalenylamino-[(3,5-dibromo-2,4-dihydroxyphenyl)methylene][3-[4-(3-(PEG)n-thioureido)diphenyl)-thioureido]propanedioic acid dihydrazide (MalH-(PEG)nB); cystic fibrosis with forms of male infertility, secretory diarrhea THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-08-19 — — US disclosed
US-7414037-B2 cystic fibrosis transmembrane conductance regulator protein inhibitor; 2-naphthalenylamino-[(3,5-dibromo-2,4-dihydroxyphenyl)methylene][3-[4-(3-(PEG)n-thioureido)diphenyl)-thioureido]propanedioic acid dihydrazide (MalH-(PEG)nB); cystic fibrosis with forms of male infertility, secretory diarrhea THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-08-19 — — 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 (2 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-20110119775-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, ABCC5, SLC9A5 MAPT 4818/4885MCL1 3431/4885MEN1 3964/4885
US-20090048207-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, ABCC5, SLC9A5 MAPT 4818/4885MCL1 3431/4885MEN1 3964/4885

“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.

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