SCHEMBL12413864

SCHEMBL12413864

CC(C)c1ccc(I)cn1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.34
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
KDM4E B2RXH2 1/20 0.31
KDM4A O75164 1/20 0.31
KDM5C P41229 1/20 0.31
KDM4D Q6B0I6 1/20 0.31
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL31698306 1.00 CHRNA7 (0.34) CHRNA7ESR1ESR2KDM4EKDM4A
SCHEMBL10140598 0.83 APP (0.36) CHRNA7
SCHEMBL14848258 0.82 ESR1 (0.38) ESR1ESR2
SCHEMBL25685914 0.79
Ammonia Solution, Strong SCHEMBL2515092 0.77
SCHEMBL16128777 0.76
SCHEMBL31698044 0.76
SCHEMBL888893 0.75 CHRNA7 (0.36) CHRNA7ESR1ESR2KDM4EKDM4A
SCHEMBL24920351 0.74 ESR1 (0.36) CHRNA7ESR1ESR2KDM4EKDM4A
SCHEMBL24837463 0.74 ESR1 (0.36) CHRNA7ESR1ESR2KDM4EKDM4A

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
US-11795196-B2 Mitochondria-targeting peptides STEALTH BIOTHERAPEUTICS INC. (US) 2023-10-24 US disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
US-20230146515-A1 MITOCHONDRIA-TARGETING PEPTIDES STEALTH BIOTHERAPEUTICS INC. 2023-05-11 US disclosed
WO-2020243519-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-03 WO disclosed
WO-2019059161-A1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL GERMICIDE HAVING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2019-03-28 WO disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
WO-2010148006-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-12-23 WO disclosed
WO-2008073350-A2 ACETYLENE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-06-19 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 (4 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-11795196-B2 Mitochondria-targeting peptides HSPE1, TFAM, TNNI3 CHRNA7 4200/4885ESR1 4432/4885ESR2 2815/4885
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A CHRNA7 143/4885ESR1 4059/4885ESR2 3622/4885
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 CHRNA7 2590/4885ESR1 3005/4885ESR2 2866/4885
US-20230146515-A1 MITOCHONDRIA-TARGETING PEPTIDES HSPE1, TFAM, TNNI3 CHRNA7 4200/4885ESR1 4432/4885ESR2 2815/4885

“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.